CID 16074453

Glycine, n-[(5-chloro-2-aminophenyl)sulfonyl]-

Structural Information

Molecular Formula
C8H9ClN2O4S
SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)NCC(=O)O)N
InChI
InChI=1S/C8H9ClN2O4S/c9-5-1-2-6(10)7(3-5)16(14,15)11-4-8(12)13/h1-3,11H,4,10H2,(H,12,13)
InChIKey
OOUFWEFNTKICFF-UHFFFAOYSA-N
Compound name
2-[(2-amino-5-chlorophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.99716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.00444 151.0
[M+Na]+ 286.98638 159.3
[M-H]- 262.98988 153.5
[M+NH4]+ 282.03098 167.4
[M+K]+ 302.96032 154.5
[M+H-H2O]+ 246.99442 146.3
[M+HCOO]- 308.99536 164.6
[M+CH3COO]- 323.01101 192.3
[M+Na-2H]- 284.97183 154.1
[M]+ 263.99661 153.4
[M]- 263.99771 153.4
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

No patent data available for this compound.