CID 504252

2-(3,4-dichlorobenzenesulfonamido)acetic acid

Structural Information

Molecular Formula
C8H7Cl2NO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)NCC(=O)O)Cl)Cl
InChI
InChI=1S/C8H7Cl2NO4S/c9-6-2-1-5(3-7(6)10)16(14,15)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKey
APIPQJHUNCPKSU-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)sulfonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

282.9473 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.95458 151.2
[M+Na]+ 305.93652 160.7
[M-H]- 281.94002 154.1
[M+NH4]+ 300.98112 168.0
[M+K]+ 321.91046 155.2
[M+H-H2O]+ 265.94456 148.1
[M+HCOO]- 327.94550 159.6
[M+CH3COO]- 341.96115 192.2
[M+Na-2H]- 303.92197 154.3
[M]+ 282.94675 156.4
[M]- 282.94785 156.4
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

patents stripe