CID 706879

2-chloro-6-methylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H7ClN2
SMILES
CC1=CC2=CC(=C(N=C2C=C1)Cl)C#N
InChI
InChI=1S/C11H7ClN2/c1-7-2-3-10-8(4-7)5-9(6-13)11(12)14-10/h2-5H,1H3
InChIKey
SJNJYVWUJJNMSD-UHFFFAOYSA-N
Compound name
2-chloro-6-methylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

202.02977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.03705 141.3
[M+Na]+ 225.01899 157.2
[M+NH4]+ 220.06359 147.9
[M+K]+ 240.99293 145.6
[M-H]- 201.02249 137.5
[M+Na-2H]- 223.00444 147.0
[M]+ 202.02922 142.2
[M]- 202.03032 142.2
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

No patent data available for this compound.