CID 94072121

2-(4-formylbenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C9H9NO5S
SMILES
C1=CC(=CC=C1C=O)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C9H9NO5S/c11-6-7-1-3-8(4-2-7)16(14,15)10-5-9(12)13/h1-4,6,10H,5H2,(H,12,13)
InChIKey
JDDPLDJTZKMLJX-UHFFFAOYSA-N
Compound name
2-[(4-formylphenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.02014 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02742 148.3
[M+Na]+ 266.00936 155.7
[M-H]- 242.01286 150.8
[M+NH4]+ 261.05396 164.7
[M+K]+ 281.98330 152.7
[M+H-H2O]+ 226.01740 142.2
[M+HCOO]- 288.01834 166.1
[M+CH3COO]- 302.03399 186.9
[M+Na-2H]- 263.99481 152.5
[M]+ 243.01959 151.1
[M]- 243.02069 151.1
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

patents stripe