CID 139596266

Kpflsa_i n=7

Structural Information

Molecular Formula
C8HF15O4S
SMILES
C(=O)(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)F
InChI
InChI=1S/C8HF15O4S/c9-1(24)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)28(25,26)27/h(H,25,26,27)
InChIKey
NNJJATPQUWCCTC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-pentadecafluoro-8-oxooctane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

477.9356 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.942876 160.4
[M+Na]+ 500.924818 164.5
[M-H]- 476.928324 168.0
[M+NH4]+ 495.969423 170.3
[M+K]+ 516.898758 171.5
[M+H-H2O]+ 460.932860 149.9
[M+HCOO]- 522.933801 179.6
[M+CH3COO]- 536.949451 226.8
[M+Na-2H]- 498.910266 159.2
[M]+ 477.93505142 161.8
[M]- 477.93614858 161.8
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.