CID 2387072

(2-trifluoromethyl-benzenesulfonylamino)-acetic acid

Structural Information

Molecular Formula
C9H8F3NO4S
SMILES
C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C9H8F3NO4S/c10-9(11,12)6-3-1-2-4-7(6)18(16,17)13-5-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKey
HIBGRSZLZBKARM-UHFFFAOYSA-N
Compound name
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0126 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.01988 160.0
[M+Na]+ 306.00182 165.5
[M+NH4]+ 301.04642 163.0
[M+K]+ 321.97576 161.7
[M-H]- 282.00532 154.3
[M+Na-2H]- 303.98727 161.4
[M]+ 283.01205 159.0
[M]- 283.01315 159.0
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.