CID 17966217

4-chloro-6-methylnicotinonitrile

Structural Information

Molecular Formula
C7H5ClN2
SMILES
CC1=CC(=C(C=N1)C#N)Cl
InChI
InChI=1S/C7H5ClN2/c1-5-2-7(8)6(3-9)4-10-5/h2,4H,1H3
InChIKey
WAYNDJKNBVJWPH-UHFFFAOYSA-N
Compound name
4-chloro-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

152.01413 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe