CID 220662

2-benzenesulfonamidoacetic acid

Structural Information

Molecular Formula
C8H9NO4S
SMILES
C1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C8H9NO4S/c10-8(11)6-9-14(12,13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKey
WTSZSAHZIMPSDM-UHFFFAOYSA-N
Compound name
2-(benzenesulfonamido)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

124
Patents

215.02522 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03250 142.4
[M+Na]+ 238.01444 149.4
[M-H]- 214.01794 144.8
[M+NH4]+ 233.05904 159.9
[M+K]+ 253.98838 146.6
[M+H-H2O]+ 198.02248 136.5
[M+HCOO]- 260.02342 160.2
[M+CH3COO]- 274.03907 181.3
[M+Na-2H]- 235.99989 147.5
[M]+ 215.02467 143.8
[M]- 215.02577 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe