CID 2764384

2-chloro-4-phenylnicotinonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

214.02977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03705 145.7
[M+Na]+ 237.01899 162.0
[M+NH4]+ 232.06359 152.1
[M+K]+ 252.99293 150.0
[M-H]- 213.02249 143.3
[M+Na-2H]- 235.00444 153.7
[M]+ 214.02922 147.1
[M]- 214.03032 147.1
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