CID 71687235

101251-72-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
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

No literature data available for this compound.

Patent stripe

patents stripe