CID 46911834

3-pyridinecarbonitrile, 2-(chloromethyl)-

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CC(=C(N=C1)CCl)C#N
InChI
InChI=1S/C7H5ClN2/c8-4-7-6(5-9)2-1-3-10-7/h1-3H,4H2
InChIKey
FALRKNHUBBKYCC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17072
Patents

152.01413 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.021406 126.8
[M+Na]+ 175.003348 138.5
[M-H]- 151.006854 128.7
[M+NH4]+ 170.047953 145.5
[M+K]+ 190.977288 134.2
[M+H-H2O]+ 135.011390 114.8
[M+HCOO]- 197.012331 142.9
[M+CH3COO]- 211.027981 187.1
[M+Na-2H]- 172.988796 134.5
[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

No literature data available for this compound.

Patent stripe

patents stripe