CID 694227

82525-34-6

Structural Information

Molecular Formula
C15H11Cl2NO3
SMILES
COC(=O)C1=CC=CC=C1NC(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H11Cl2NO3/c1-21-15(20)11-4-2-3-5-13(11)18-14(19)10-7-6-9(16)8-12(10)17/h2-8H,1H3,(H,18,19)
InChIKey
KQEHZUVOWJBMRR-UHFFFAOYSA-N
Compound name
methyl 2-[(2,4-dichlorobenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0116 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.01888 167.5
[M+Na]+ 346.00082 176.8
[M-H]- 322.00432 174.2
[M+NH4]+ 341.04542 183.0
[M+K]+ 361.97476 171.3
[M+H-H2O]+ 306.00886 161.8
[M+HCOO]- 368.00980 182.2
[M+CH3COO]- 382.02545 206.4
[M+Na-2H]- 343.98627 169.9
[M]+ 323.01105 172.7
[M]- 323.01215 172.7
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.