CID 2324377

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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

No literature data available for this compound.

Patent stripe

patents stripe