CID 78924

5270-74-6

Structural Information

Molecular Formula
C14H10ClNO5S
SMILES
C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C14H10ClNO5S/c15-11-6-5-8(7-12(11)22(16,20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)(H2,16,20,21)
InChIKey
UKRADWWBRBBJLZ-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-sulfamoylbenzoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

338.99683 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00411 169.5
[M+Na]+ 361.98605 178.1
[M-H]- 337.98955 175.3
[M+NH4]+ 357.03065 182.8
[M+K]+ 377.95999 172.7
[M+H-H2O]+ 321.99409 163.8
[M+HCOO]- 383.99503 181.2
[M+CH3COO]- 398.01068 204.6
[M+Na-2H]- 359.97150 170.7
[M]+ 338.99628 173.3
[M]- 338.99738 173.3
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