CID 2325693

2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C13H8Cl2FNO4S
SMILES
C1=CC(=CC=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl)F
InChI
InChI=1S/C13H8Cl2FNO4S/c14-10-6-11(15)12(5-9(10)13(18)19)22(20,21)17-8-3-1-7(16)2-4-8/h1-6,17H,(H,18,19)
InChIKey
DLTMPHWJUYBJGY-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-[(4-fluorophenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

362.95352 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.96080 169.2
[M+Na]+ 385.94274 179.7
[M-H]- 361.94624 174.2
[M+NH4]+ 380.98734 183.0
[M+K]+ 401.91668 172.9
[M+H-H2O]+ 345.95078 163.9
[M+HCOO]- 407.95172 176.6
[M+CH3COO]- 421.96737 207.9
[M+Na-2H]- 383.92819 171.0
[M]+ 362.95297 174.2
[M]- 362.95407 174.2
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