PubChemLite - Dpas n=10 (C13HF25O)

Structural Information

Molecular Formula

SMILES

C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(C(C(O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F

InChI

InChI=1S/C13HF25O/c14-1(2(15)4(18,19)20)3(16,17)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)39/h39H/b2-1+

InChIKey

LXHRQQQITFNIOV-OWOJBTEDSA-N

Compound name

(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,13,13,13-pentacosafluorotridec-11-en-1-ol

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]+	648.97008	189.7
[M+Na]+	670.95202	193.8
[M-H]-	646.95552	200.7
[M+NH4]+	665.99662	201.2
[M+K]+	686.92596	206.9
[M+H-H2O]+	630.96006	177.5
[M+HCOO]-	692.96100	204.0
[M+CH3COO]-	706.97665	255.2
[M+Na-2H]-	668.93747	191.0
[M]+	647.96225	185.9
[M]-	647.96335	185.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

648.97008

189.7

[M+Na]+

670.95202

193.8

[M-H]-

646.95552

200.7

[M+NH4]+

665.99662

201.2

[M+K]+

686.92596

206.9

[M+H-H2O]+

630.96006

177.5

[M+HCOO]-

692.96100

204.0

[M+CH3COO]-

706.97665

255.2

[M+Na-2H]-

668.93747

191.0

[M]+

647.96225

185.9

[M]-

647.96335

185.9

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

Dpas n=10

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe