CID 13601371

2-(4-chlorophenyl)-3-methylpyridine

Structural Information

Molecular Formula
C12H10ClN
SMILES
CC1=C(N=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H10ClN/c1-9-3-2-8-14-12(9)10-4-6-11(13)7-5-10/h2-8H,1H3
InChIKey
ZNCQGNQUBPMASM-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-3-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

203.05017 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.05745 140.7
[M+Na]+ 226.03939 150.9
[M-H]- 202.04289 146.3
[M+NH4]+ 221.08399 159.5
[M+K]+ 242.01333 145.5
[M+H-H2O]+ 186.04743 133.8
[M+HCOO]- 248.04837 159.8
[M+CH3COO]- 262.06402 154.5
[M+Na-2H]- 224.02484 148.1
[M]+ 203.04962 142.4
[M]- 203.05072 142.4
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