CID 66545095

Methyl 4-[(6-chloropyridin-3-yl)methyl]benzoate

Structural Information

Molecular Formula
C14H12ClNO2
SMILES
COC(=O)C1=CC=C(C=C1)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C14H12ClNO2/c1-18-14(17)12-5-2-10(3-6-12)8-11-4-7-13(15)16-9-11/h2-7,9H,8H2,1H3
InChIKey
JGEBRMTWXVJTCE-UHFFFAOYSA-N
Compound name
methyl 4-[(6-chloropyridin-3-yl)methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.05566 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.06294 156.2
[M+Na]+ 284.04488 172.3
[M+NH4]+ 279.08948 164.8
[M+K]+ 300.01882 164.0
[M-H]- 260.04838 160.2
[M+Na-2H]- 282.03033 165.8
[M]+ 261.05511 160.0
[M]- 261.05621 160.0
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.