CID 45051250

2-((2,4,6-trichloroanilino)carbonyl)benzoic acid

Structural Information

Molecular Formula
C14H8Cl3NO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H8Cl3NO3/c15-7-5-10(16)12(11(17)6-7)18-13(19)8-3-1-2-4-9(8)14(20)21/h1-6H,(H,18,19)(H,20,21)
InChIKey
LUXHKELAQNBSLA-UHFFFAOYSA-N
Compound name
2-[(2,4,6-trichlorophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.95697 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.96425 167.3
[M+Na]+ 365.94619 177.3
[M-H]- 341.94969 171.8
[M+NH4]+ 360.99079 181.5
[M+K]+ 381.92013 170.6
[M+H-H2O]+ 325.95423 163.2
[M+HCOO]- 387.95517 175.5
[M+CH3COO]- 401.97082 207.8
[M+Na-2H]- 363.93164 168.2
[M]+ 342.95642 171.2
[M]- 342.95752 171.2
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

No patent data available for this compound.