CID 5016601

155493-93-9

Structural Information

Molecular Formula
C9H8ClNO5S
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO5S/c10-17(15,16)7-3-1-6(2-4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKey
CBDGPFVSWUUXJX-UHFFFAOYSA-N
Compound name
2-[(4-chlorosulfonylbenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.98117 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98845 152.8
[M+Na]+ 299.97039 160.7
[M-H]- 275.97389 155.7
[M+NH4]+ 295.01499 168.9
[M+K]+ 315.94433 156.6
[M+H-H2O]+ 259.97843 148.2
[M+HCOO]- 321.97937 165.3
[M+CH3COO]- 335.99502 190.9
[M+Na-2H]- 297.95584 155.9
[M]+ 276.98062 157.1
[M]- 276.98172 157.1
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.