CID 2116937

749896-75-1

Structural Information

Molecular Formula
C14H11Cl2NO4S
SMILES
C1=CC(=CC=C1CC(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2NO4S/c15-12-6-5-11(8-13(12)16)22(20,21)17-10-3-1-9(2-4-10)7-14(18)19/h1-6,8,17H,7H2,(H,18,19)
InChIKey
JHDALBMVZPHSDO-UHFFFAOYSA-N
Compound name
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.97858 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.98586 177.4
[M+Na]+ 381.96780 190.6
[M+NH4]+ 377.01240 184.2
[M+K]+ 397.94174 182.3
[M-H]- 357.97130 179.7
[M+Na-2H]- 379.95325 184.1
[M]+ 358.97803 180.9
[M]- 358.97913 180.9
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.