CID 17880472

4-chloro-5,7-dimethoxyquinoline

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=CC2=NC=CC(=C2C(=C1)OC)Cl
InChI
InChI=1S/C11H10ClNO2/c1-14-7-5-9-11(10(6-7)15-2)8(12)3-4-13-9/h3-6H,1-2H3
InChIKey
JSOONZDJCBQKRD-UHFFFAOYSA-N
Compound name
4-chloro-5,7-dimethoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

223.04001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 143.4
[M+Na]+ 246.029228 154.9
[M-H]- 222.032734 147.2
[M+NH4]+ 241.073833 163.0
[M+K]+ 262.003168 150.9
[M+H-H2O]+ 206.037270 137.3
[M+HCOO]- 268.038211 161.7
[M+CH3COO]- 282.053861 188.7
[M+Na-2H]- 244.014676 151.3
[M]+ 223.03946142 149.4
[M]- 223.04055858 149.4
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

patents stripe