CID 221113

8-chloro-2-methylquinoline

Structural Information

Molecular Formula
C10H8ClN
SMILES
CC1=NC2=C(C=CC=C2Cl)C=C1
InChI
InChI=1S/C10H8ClN/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h2-6H,1H3
InChIKey
VVLYDFPOGMTMFJ-UHFFFAOYSA-N
Compound name
8-chloro-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

194
Patents

177.03453 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04181 132.6
[M+Na]+ 200.02375 149.9
[M+NH4]+ 195.06835 143.6
[M+K]+ 215.99769 140.7
[M-H]- 176.02725 136.6
[M+Na-2H]- 198.00920 142.1
[M]+ 177.03398 136.8
[M]- 177.03508 136.8
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