CID 2396536

379254-58-7

Structural Information

Molecular Formula
C14H11ClFNO4S
SMILES
CN(C1=CC=C(C=C1)F)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C14H11ClFNO4S/c1-17(10-4-2-9(16)3-5-10)22(20,21)11-6-7-13(15)12(8-11)14(18)19/h2-8H,1H3,(H,18,19)
InChIKey
OQZORFCSUZSIDR-UHFFFAOYSA-N
Compound name
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.00815 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01543 168.9
[M+Na]+ 365.99737 178.1
[M-H]- 342.00087 175.3
[M+NH4]+ 361.04197 183.3
[M+K]+ 381.97131 173.3
[M+H-H2O]+ 326.00541 162.0
[M+HCOO]- 388.00635 181.4
[M+CH3COO]- 402.02200 208.6
[M+Na-2H]- 363.98282 170.8
[M]+ 343.00760 173.8
[M]- 343.00870 173.8
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.