CID 15707538

2-chloro-8-methylquinoline-3-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 203.037046 141.9
[M+Na]+ 225.018988 155.6
[M-H]- 201.022494 144.8
[M+NH4]+ 220.063593 160.2
[M+K]+ 240.992928 148.5
[M+H-H2O]+ 185.027030 129.8
[M+HCOO]- 247.027971 156.7
[M+CH3COO]- 261.043621 154.3
[M+Na-2H]- 223.004436 148.9
[M]+ 202.02922142 139.5
[M]- 202.03031858 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.