CID 12891106

65176-93-4

Structural Information

Molecular Formula
C8H7ClN2
SMILES
CC1=CC(=C(N=C1C)Cl)C#N
InChI
InChI=1S/C8H7ClN2/c1-5-3-7(4-10)8(9)11-6(5)2/h3H,1-2H3
InChIKey
BYVPJDZJIHOUHA-UHFFFAOYSA-N
Compound name
2-chloro-5,6-dimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

166.02977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03705 130.0
[M+Na]+ 189.01899 143.0
[M-H]- 165.02249 132.6
[M+NH4]+ 184.06359 148.8
[M+K]+ 204.99293 138.7
[M+H-H2O]+ 149.02703 118.5
[M+HCOO]- 211.02797 145.8
[M+CH3COO]- 225.04362 191.8
[M+Na-2H]- 187.00444 136.0
[M]+ 166.02922 127.7
[M]- 166.03032 127.7
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