Dpas n=12 (C15HF29O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15HF29O/c16-1(2(17)4(20,21)22)3(18,19)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)45/h45H/b2-1+

InChIKey

OTGTXEZRTXPANW-OWOJBTEDSA-N

Compound name

(E)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,15,15,15-nonacosafluoropentadec-13-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]+	748.963676	205.7
[M+Na]+	770.945618	208.8
[M-H]-	746.949124	218.0
[M+NH4]+	765.990223	217.7
[M+K]+	786.919558	223.6
[M+H-H2O]+	730.953660	192.9
[M+HCOO]-	792.954601	218.9
[M+CH3COO]-	806.970251	264.6
[M+Na-2H]-	768.931066	207.8
[M]+	747.95585142	201.6
[M]-	747.95694858	201.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

748.963676

205.7

[M+Na]+

770.945618

208.8

[M-H]-

746.949124

218.0

[M+NH4]+

765.990223

217.7

[M+K]+

786.919558

223.6

[M+H-H2O]+

730.953660

192.9

[M+HCOO]-

792.954601

218.9

[M+CH3COO]-

806.970251

264.6

[M+Na-2H]-

768.931066

207.8

[M]+

747.95585142

201.6

[M]-

747.95694858

201.6

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

Dpas n=12

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe