CID 66545124

2-chloro-5-[(4-methoxyphenyl)methyl]pyridine

Structural Information

Molecular Formula
C13H12ClNO
SMILES
COC1=CC=C(C=C1)CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C13H12ClNO/c1-16-12-5-2-10(3-6-12)8-11-4-7-13(14)15-9-11/h2-7,9H,8H2,1H3
InChIKey
TVOBESLVSRBNDU-UHFFFAOYSA-N
Compound name
2-chloro-5-[(4-methoxyphenyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.06075 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.068026 148.7
[M+Na]+ 256.049968 158.4
[M-H]- 232.053474 154.1
[M+NH4]+ 251.094573 166.3
[M+K]+ 272.023908 153.3
[M+H-H2O]+ 216.058010 141.4
[M+HCOO]- 278.058951 167.7
[M+CH3COO]- 292.074601 189.7
[M+Na-2H]- 254.035416 155.5
[M]+ 233.06020142 152.2
[M]- 233.06129858 152.2
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

patents stripe