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

60
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 146.2
[M+Na]+ 237.01899 158.5
[M-H]- 213.02249 150.3
[M+NH4]+ 232.06359 162.4
[M+K]+ 252.99293 151.3
[M+H-H2O]+ 197.02703 132.7
[M+HCOO]- 259.02797 161.9
[M+CH3COO]- 273.04362 158.0
[M+Na-2H]- 235.00444 152.6
[M]+ 214.02922 142.4
[M]- 214.03032 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