CID 77974

2-chloro-6-methylquinoline

Structural Information

Molecular Formula
C10H8ClN
SMILES
CC1=CC2=C(C=C1)N=C(C=C2)Cl
InChI
InChI=1S/C10H8ClN/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
InChIKey
FHHZTIXPIXHMLC-UHFFFAOYSA-N
Compound name
2-chloro-6-methylquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

349
Patents

177.03453 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.041806 132.5
[M+Na]+ 200.023748 143.7
[M-H]- 176.027254 136.1
[M+NH4]+ 195.068353 153.8
[M+K]+ 215.997688 138.8
[M+H-H2O]+ 160.031790 126.9
[M+HCOO]- 222.032731 150.7
[M+CH3COO]- 236.048381 146.9
[M+Na-2H]- 198.009196 141.7
[M]+ 177.03398142 134.8
[M]- 177.03507858 134.8
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