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 147.1
[M+Na]+ 291.98617 156.6
[M-H]- 267.98967 146.2
[M+NH4]+ 287.03077 163.0
[M+K]+ 307.96011 152.7
[M+H-H2O]+ 251.99421 138.9
[M+HCOO]- 313.99515 161.6
[M+CH3COO]- 328.01080 193.3
[M+Na-2H]- 289.97162 148.8
[M]+ 268.99640 146.2
[M]- 268.99750 146.2
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