CID 139596791

Fhxsaa

Structural Information

Molecular Formula
C8H4F13NO4S
SMILES
C(C(=O)O)NS(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F13NO4S/c9-3(10,5(13,14)7(17,18)19)4(11,12)6(15,16)8(20,21)27(25,26)22-1-2(23)24/h22H,1H2,(H,23,24)
InChIKey
QMSAJIZZWDYZCW-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

456.96533 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.97261 158.8
[M+Na]+ 479.95455 164.2
[M-H]- 455.95805 166.5
[M+NH4]+ 474.99915 166.7
[M+K]+ 495.92849 168.4
[M+H-H2O]+ 439.96259 162.7
[M+HCOO]- 501.96353 176.5
[M+CH3COO]- 515.97918 224.8
[M+Na-2H]- 477.94000 156.7
[M]+ 456.96478 157.9
[M]- 456.96588 157.9
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.