CID 24705725

4-chloro-8-methylquinoline-3-carbonitrile

Structural Information

Molecular Formula
C11H7ClN2
SMILES
CC1=C2C(=CC=C1)C(=C(C=N2)C#N)Cl
InChI
InChI=1S/C11H7ClN2/c1-7-3-2-4-9-10(12)8(5-13)6-14-11(7)9/h2-4,6H,1H3
InChIKey
OKDNVIMPGYPSIH-UHFFFAOYSA-N
Compound name
4-chloro-8-methylquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.02977 Da
Monoisotopic Mass

2.9
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.