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

7
Patents

203.05017 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.057446 140.7
[M+Na]+ 226.039388 150.9
[M-H]- 202.042894 146.3
[M+NH4]+ 221.083993 159.5
[M+K]+ 242.013328 145.5
[M+H-H2O]+ 186.047430 133.8
[M+HCOO]- 248.048371 159.8
[M+CH3COO]- 262.064021 154.5
[M+Na-2H]- 224.024836 148.1
[M]+ 203.04962142 142.4
[M]- 203.05071858 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