CID 2800491

2-chloro-4-methylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H7ClN2
SMILES
CC1=C(C(=NC2=CC=CC=C12)Cl)C#N
InChI
InChI=1S/C11H7ClN2/c1-7-8-4-2-3-5-10(8)14-11(12)9(7)6-13/h2-5H,1H3
InChIKey
UTBTZPFJZNOSLP-UHFFFAOYSA-N
Compound name
2-chloro-4-methylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
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 141.9
[M+Na]+ 225.01899 155.6
[M-H]- 201.02249 144.8
[M+NH4]+ 220.06359 160.2
[M+K]+ 240.99293 148.5
[M+H-H2O]+ 185.02703 129.8
[M+HCOO]- 247.02797 156.7
[M+CH3COO]- 261.04362 154.3
[M+Na-2H]- 223.00444 148.9
[M]+ 202.02922 139.5
[M]- 202.03032 139.5
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