CID 362744

2-(n-methyl-4-chlorobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C9H10ClNO4S
SMILES
CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClNO4S/c1-11(6-9(12)13)16(14,15)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKey
BTJPZWSENGXSGK-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)sulfonyl-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

263.0019 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00918 150.6
[M+Na]+ 285.99112 158.8
[M-H]- 261.99462 154.9
[M+NH4]+ 281.03572 168.2
[M+K]+ 301.96506 155.7
[M+H-H2O]+ 245.99916 145.8
[M+HCOO]- 308.00010 164.2
[M+CH3COO]- 322.01575 192.6
[M+Na-2H]- 283.97657 153.9
[M]+ 263.00135 156.2
[M]- 263.00245 156.2
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.