CID 14980535

6-(chloromethyl)nicotinonitrile

Structural Information

Molecular Formula
C7H5ClN2
SMILES
C1=CC(=NC=C1C#N)CCl
InChI
InChI=1S/C7H5ClN2/c8-3-7-2-1-6(4-9)5-10-7/h1-2,5H,3H2
InChIKey
JWMUINMLGIWUHB-UHFFFAOYSA-N
Compound name
6-(chloromethyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

152.01413 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 127.8
[M+Na]+ 175.00335 142.0
[M+NH4]+ 170.04795 133.8
[M+K]+ 190.97729 131.6
[M-H]- 151.00685 122.9
[M+Na-2H]- 172.98880 133.6
[M]+ 152.01358 128.0
[M]- 152.01468 128.0
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