CID 581392

4-chloro-2-picoline

Structural Information

Molecular Formula
C6H6ClN
SMILES
CC1=NC=CC(=C1)Cl
InChI
InChI=1S/C6H6ClN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKey
DAOZBJCTEPJGES-UHFFFAOYSA-N
Compound name
4-chloro-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2051
Patents

127.018875 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02615 119.9
[M+Na]+ 150.00809 135.5
[M+NH4]+ 145.05270 130.1
[M+K]+ 165.98203 127.7
[M-H]- 126.01160 122.7
[M+Na-2H]- 147.99354 129.1
[M]+ 127.01833 123.3
[M]- 127.01942 123.3
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