CID 139597653

8h-perfluorononanesulfonic acid

Structural Information

Molecular Formula
C9H2F18O3S
SMILES
C(C(C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9H2F18O3S/c10-1(3(13,14)15)2(11,12)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)31(28,29)30/h1H,(H,28,29,30)
InChIKey
WJKBXFRRXIONGT-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-octadecafluorononane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

531.9437 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.95098 170.3
[M+Na]+ 554.93292 173.7
[M-H]- 530.93642 178.0
[M+NH4]+ 549.97752 180.2
[M+K]+ 570.90686 183.2
[M+H-H2O]+ 514.94096 158.7
[M+HCOO]- 576.94190 188.2
[M+CH3COO]- 590.95755 236.1
[M+Na-2H]- 552.91837 169.3
[M]+ 531.94315 170.7
[M]- 531.94425 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.