CID 986287

301680-46-6

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
COC1=C(C=CC(=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c1-22-14-12(18)8-7-11(17)13(14)15(20)19-10-5-3-9(4-6-10)16(21)23-2/h3-8H,1-2H3,(H,19,20)
InChIKey
ZZIVMEREMOBTBA-UHFFFAOYSA-N
Compound name
methyl 4-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

353.02216 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02944 174.1
[M+Na]+ 376.01138 183.6
[M-H]- 352.01488 181.0
[M+NH4]+ 371.05598 188.6
[M+K]+ 391.98532 178.7
[M+H-H2O]+ 336.01942 168.2
[M+HCOO]- 398.02036 188.6
[M+CH3COO]- 412.03601 212.6
[M+Na-2H]- 373.99683 175.4
[M]+ 353.02161 181.5
[M]- 353.02271 181.5
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