CID 807583

4-chloro-8-methoxy-2-methylquinoline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=CC(=C2C=CC=C(C2=N1)OC)Cl
InChI
InChI=1S/C11H10ClNO/c1-7-6-9(12)8-4-3-5-10(14-2)11(8)13-7/h3-6H,1-2H3
InChIKey
RHSCPZBPNUZBOA-UHFFFAOYSA-N
Compound name
4-chloro-8-methoxy-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

207.04509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.052366 140.3
[M+Na]+ 230.034308 152.0
[M-H]- 206.037814 144.1
[M+NH4]+ 225.078913 160.7
[M+K]+ 246.008248 147.4
[M+H-H2O]+ 190.042350 134.5
[M+HCOO]- 252.043291 158.4
[M+CH3COO]- 266.058941 186.6
[M+Na-2H]- 228.019756 148.2
[M]+ 207.04454142 144.9
[M]- 207.04563858 144.9
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