CID 10507011

Perfluorooctane sulfonamidoacetic acid

Structural Information

Molecular Formula
C10H4F17NO4S
SMILES
C(C(=O)O)NS(=O)(=O)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
InChI
InChI=1S/C10H4F17NO4S/c11-3(12,5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)33(31,32)28-1-2(29)30/h28H,1H2,(H,29,30)
InChIKey
AYLOUUCBACYHAB-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

55
Patents

556.959 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.96628 172.2
[M+Na]+ 579.94822 176.3
[M-H]- 555.95172 182.6
[M+NH4]+ 574.99282 182.2
[M+K]+ 595.92216 184.8
[M+H-H2O]+ 539.95626 159.6
[M+HCOO]- 601.95720 189.1
[M+CH3COO]- 615.97285 240.9
[M+Na-2H]- 577.93367 170.6
[M]+ 556.95845 171.3
[M]- 556.95955 171.3
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.