CID 162345359

Ns00132831

Structural Information

Molecular Formula
C14H10Cl2O3
SMILES
C1=CC=C(C=C1)COC(=O)C2=C(C(=CC(=C2)Cl)Cl)O
InChI
InChI=1S/C14H10Cl2O3/c15-10-6-11(13(17)12(16)7-10)14(18)19-8-9-4-2-1-3-5-9/h1-7,17H,8H2
InChIKey
OBJSUVBCJBWSDF-UHFFFAOYSA-N
Compound name
benzyl 3,5-dichloro-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.0007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.007976 159.0
[M+Na]+ 318.989918 169.1
[M-H]- 294.993424 164.4
[M+NH4]+ 314.034523 175.3
[M+K]+ 334.963858 163.0
[M+H-H2O]+ 278.997960 153.9
[M+HCOO]- 340.998901 172.2
[M+CH3COO]- 355.014551 196.7
[M+Na-2H]- 316.975366 162.3
[M]+ 296.00015142 163.9
[M]- 296.00124858 163.9
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.