CID 2431656

4-(3,4-dichlorobenzenesulfonamido)butanoic acid

Structural Information

Molecular Formula
C10H11Cl2NO4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)NCCCC(=O)O)Cl)Cl
InChI
InChI=1S/C10H11Cl2NO4S/c11-8-4-3-7(6-9(8)12)18(16,17)13-5-1-2-10(14)15/h3-4,6,13H,1-2,5H2,(H,14,15)
InChIKey
REZJPEDFJOOXPV-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)sulfonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.97858 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.98586 160.0
[M+Na]+ 333.96780 168.6
[M-H]- 309.97130 162.5
[M+NH4]+ 329.01240 175.7
[M+K]+ 349.94174 162.7
[M+H-H2O]+ 293.97584 156.5
[M+HCOO]- 355.97678 167.8
[M+CH3COO]- 369.99243 198.0
[M+Na-2H]- 331.95325 162.2
[M]+ 310.97803 165.9
[M]- 310.97913 165.9
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.