CID 215263

Brn 3067758

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
CCOC(=O)C1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C16H13Cl2NO4/c1-2-23-16(22)11-7-9(3-6-14(11)20)15(21)19-10-4-5-12(17)13(18)8-10/h3-8,20H,2H2,1H3,(H,19,21)
InChIKey
GETLFRAMDAGVEM-UHFFFAOYSA-N
Compound name
ethyl 5-[(3,4-dichlorophenyl)carbamoyl]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.02216 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02944 174.1
[M+Na]+ 376.01138 183.2
[M-H]- 352.01488 179.6
[M+NH4]+ 371.05598 187.9
[M+K]+ 391.98532 177.5
[M+H-H2O]+ 336.01942 168.6
[M+HCOO]- 398.02036 187.2
[M+CH3COO]- 412.03601 210.4
[M+Na-2H]- 373.99683 174.9
[M]+ 353.02161 179.7
[M]- 353.02271 179.7
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.