CID 2764043

2-chloro-5-phenylnicotinonitrile

Structural Information

Molecular Formula
C12H7ClN2
SMILES
C1=CC=C(C=C1)C2=CC(=C(N=C2)Cl)C#N
InChI
InChI=1S/C12H7ClN2/c13-12-10(7-14)6-11(8-15-12)9-4-2-1-3-5-9/h1-6,8H
InChIKey
DBOYDCQWVLJOJG-UHFFFAOYSA-N
Compound name
2-chloro-5-phenylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

47
Patents

214.02977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.037046 146.2
[M+Na]+ 237.018988 158.5
[M-H]- 213.022494 150.3
[M+NH4]+ 232.063593 162.4
[M+K]+ 252.992928 151.3
[M+H-H2O]+ 197.027030 132.7
[M+HCOO]- 259.027971 161.9
[M+CH3COO]- 273.043621 158.0
[M+Na-2H]- 235.004436 152.6
[M]+ 214.02922142 142.4
[M]- 214.03031858 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

literature stripe

Patent stripe

patents stripe