CID 2387072

496026-17-6

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.019876	153.0
[M+Na]+	306.001818	160.8
[M-H]-	282.005324	151.5
[M+NH4]+	301.046423	167.9
[M+K]+	321.975758	157.1
[M+H-H2O]+	266.009860	144.7
[M+HCOO]-	328.010801	165.8
[M+CH3COO]-	342.026451	193.5
[M+Na-2H]-	303.987266	156.6
[M]+	283.01205142	151.0
[M]-	283.01314858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.