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

4
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

literature stripe

Patent stripe

patents stripe