CID 5086573

2,4-dichlorobenzyl 2-methylbenzoate

Structural Information

Molecular Formula
C15H12Cl2O2
SMILES
CC1=CC=CC=C1C(=O)OCC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl2O2/c1-10-4-2-3-5-13(10)15(18)19-9-11-6-7-12(16)8-14(11)17/h2-8H,9H2,1H3
InChIKey
FTOBUUOYAMMTAL-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methyl 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.02142 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.02870 160.9
[M+Na]+ 317.01064 171.1
[M-H]- 293.01414 167.4
[M+NH4]+ 312.05524 178.0
[M+K]+ 332.98458 165.0
[M+H-H2O]+ 277.01868 155.3
[M+HCOO]- 339.01962 175.0
[M+CH3COO]- 353.03527 200.0
[M+Na-2H]- 314.99609 164.0
[M]+ 294.02087 166.5
[M]- 294.02197 166.5
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

No patent data available for this compound.