CID 23393

2-(chloromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C6H6ClN
SMILES
C1=CC=NC(=C1)CCl
InChI
InChI=1S/C6H6ClN/c7-5-6-3-1-2-4-8-6/h1-4H,5H2
InChIKey
NJWIMFZLESWFIM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

26
References

12150
Patents

127.018875 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02615 119.8
[M+Na]+ 150.00809 129.3
[M-H]- 126.01160 122.1
[M+NH4]+ 145.05270 141.5
[M+K]+ 165.98203 126.2
[M+H-H2O]+ 110.01614 114.6
[M+HCOO]- 172.01708 139.5
[M+CH3COO]- 186.03273 169.0
[M+Na-2H]- 147.99354 129.5
[M]+ 127.01833 121.0
[M]- 127.01942 121.0
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