CID 520400

28900-10-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

615
Patents

152.01413 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.02141 126.6
[M+Na]+ 175.00335 141.1
[M+NH4]+ 170.04795 132.6
[M+K]+ 190.97729 130.9
[M-H]- 151.00685 121.8
[M+Na-2H]- 172.98880 132.3
[M]+ 152.01358 126.9
[M]- 152.01468 126.9
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