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

48
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

No literature data available for this compound.

Patent stripe

patents stripe