2h-pyran, 2,2,3,3,4,4,5,5,6-nonafluorotetrahydro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)- (C14F28O)

Structural Information

Molecular Formula

SMILES

C1(C(C(OC(C1(F)F)(F)F)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F

InChI

InChI=1S/C14F28O/c15-1(16,2(17,18)4(21,22)6(25,26)10(33,34)13(38,39)40)3(19,20)5(23,24)8(29,30)12(37)9(31,32)7(27,28)11(35,36)14(41,42)43-12

InChIKey

RABDXRSZMMTNLB-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)oxane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	716.957476	197.5
[M+Na]+	738.939418	203.2
[M-H]-	714.942924	206.8
[M+NH4]+	733.984023	208.7
[M+K]+	754.913358	214.4
[M+H-H2O]+	698.947460	190.2
[M+HCOO]-	760.948401	217.2
[M+CH3COO]-	774.964051	262.7
[M+Na-2H]-	736.924866	199.9
[M]+	715.94965142	191.4
[M]-	715.95074858	191.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

716.957476

197.5

[M+Na]+

738.939418

203.2

[M-H]-

714.942924

206.8

[M+NH4]+

733.984023

208.7

[M+K]+

754.913358

214.4

[M+H-H2O]+

698.947460

190.2

[M+HCOO]-

760.948401

217.2

[M+CH3COO]-

774.964051

262.7

[M+Na-2H]-

736.924866

199.9

[M]+

715.94965142

191.4

[M]-

715.95074858

191.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2h-pyran, 2,2,3,3,4,4,5,5,6-nonafluorotetrahydro-6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe