CID 217289

Brn 3066226

Structural Information

Molecular Formula
C16H14ClNO4
SMILES
CCOC(=O)C1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2Cl)O
InChI
InChI=1S/C16H14ClNO4/c1-2-22-16(21)11-9-10(7-8-14(11)19)15(20)18-13-6-4-3-5-12(13)17/h3-9,19H,2H2,1H3,(H,18,20)
InChIKey
GEAHZABSQRWNPB-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-chlorophenyl)carbamoyl]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06113 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06841 169.6
[M+Na]+ 342.05035 177.4
[M-H]- 318.05385 175.4
[M+NH4]+ 337.09495 183.9
[M+K]+ 358.02429 172.8
[M+H-H2O]+ 302.05839 162.9
[M+HCOO]- 364.05933 187.7
[M+CH3COO]- 378.07498 204.9
[M+Na-2H]- 340.03580 171.7
[M]+ 319.06058 173.4
[M]- 319.06168 173.4
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.