CID 2762868

2-chloro-5-phenylpyridine

Structural Information

Molecular Formula
C11H8ClN
SMILES
C1=CC=C(C=C1)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C11H8ClN/c12-11-7-6-10(8-13-11)9-4-2-1-3-5-9/h1-8H
InChIKey
GPTCNPDHDYHZER-UHFFFAOYSA-N
Compound name
2-chloro-5-phenylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

208
Patents

189.03453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04181 136.2
[M+Na]+ 212.02375 146.0
[M-H]- 188.02725 141.6
[M+NH4]+ 207.06835 155.3
[M+K]+ 227.99769 140.8
[M+H-H2O]+ 172.03179 129.3
[M+HCOO]- 234.03273 155.6
[M+CH3COO]- 248.04838 150.1
[M+Na-2H]- 210.00920 144.9
[M]+ 189.03398 137.2
[M]- 189.03508 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe