CID 2405271

2-(2,3,4-trifluorobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C8H6F3NO4S
SMILES
C1=CC(=C(C(=C1F)F)F)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C8H6F3NO4S/c9-4-1-2-5(8(11)7(4)10)17(15,16)12-3-6(13)14/h1-2,12H,3H2,(H,13,14)
InChIKey
YFDLVBJUNIEITC-UHFFFAOYSA-N
Compound name
2-[(2,3,4-trifluorophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

268.99695 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.00423 156.3
[M+Na]+ 291.98617 162.9
[M+NH4]+ 287.03077 159.6
[M+K]+ 307.96011 158.5
[M-H]- 267.98967 151.3
[M+Na-2H]- 289.97162 157.5
[M]+ 268.99640 155.6
[M]- 268.99750 155.6
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

patents stripe