CID 1210950

2-(2-nitrobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C8H8N2O6S
SMILES
C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC(=O)O
InChI
InChI=1S/C8H8N2O6S/c11-8(12)5-9-17(15,16)7-4-2-1-3-6(7)10(13)14/h1-4,9H,5H2,(H,11,12)
InChIKey
DJTWAEHEZATPEM-UHFFFAOYSA-N
Compound name
2-[(2-nitrophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

260.0103 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01758 148.3
[M+Na]+ 282.99952 154.0
[M-H]- 259.00302 150.7
[M+NH4]+ 278.04412 162.8
[M+K]+ 298.97346 147.4
[M+H-H2O]+ 243.00756 146.4
[M+HCOO]- 305.00850 167.0
[M+CH3COO]- 319.02415 183.1
[M+Na-2H]- 280.98497 155.3
[M]+ 260.00975 148.0
[M]- 260.01085 148.0
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