CID 766596

3',4'-dichlorophthalanilic acid

Structural Information

Molecular Formula
C14H9Cl2NO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C14H9Cl2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKey
IJDPTPLIVARLPT-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

308.99594 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.003216 162.7
[M+Na]+ 331.985158 171.9
[M-H]- 307.988664 168.1
[M+NH4]+ 327.029763 177.9
[M+K]+ 347.959098 165.7
[M+H-H2O]+ 291.993200 157.5
[M+HCOO]- 353.994141 176.2
[M+CH3COO]- 368.009791 201.8
[M+Na-2H]- 329.970606 165.1
[M]+ 308.99539142 165.8
[M]- 308.99648858 165.8
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

patents stripe