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]+ 234.06803 148.7
[M+Na]+ 256.04997 158.4
[M-H]- 232.05347 154.1
[M+NH4]+ 251.09457 166.3
[M+K]+ 272.02391 153.3
[M+H-H2O]+ 216.05801 141.4
[M+HCOO]- 278.05895 167.7
[M+CH3COO]- 292.07460 189.7
[M+Na-2H]- 254.03542 155.5
[M]+ 233.06020 152.2
[M]- 233.06130 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