CID 12387736

2-chloro-4-methyl-nicotinonitrile

Structural Information

Molecular Formula
C7H5ClN2
SMILES
CC1=C(C(=NC=C1)Cl)C#N
InChI
InChI=1S/C7H5ClN2/c1-5-2-3-10-7(8)6(5)4-9/h2-3H,1H3
InChIKey
BXUFVXSRHLSIMN-UHFFFAOYSA-N
Compound name
2-chloro-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

152.01413 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021406 126.4
[M+Na]+ 175.003348 139.0
[M-H]- 151.006854 128.8
[M+NH4]+ 170.047953 145.5
[M+K]+ 190.977288 134.8
[M+H-H2O]+ 135.011390 114.8
[M+HCOO]- 197.012331 142.5
[M+CH3COO]- 211.027981 188.1
[M+Na-2H]- 172.988796 133.5
[M]+ 152.01358142 123.4
[M]- 152.01467858 123.4
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