CID 22416905

2-(chloromethyl)-7-methoxyquinoline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
COC1=CC2=C(C=C1)C=CC(=N2)CCl
InChI
InChI=1S/C11H10ClNO/c1-14-10-5-3-8-2-4-9(7-12)13-11(8)6-10/h2-6H,7H2,1H3
InChIKey
OROJLIMKSCWUMK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-7-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

207.04509 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.052366 140.5
[M+Na]+ 230.034308 151.2
[M-H]- 206.037814 143.9
[M+NH4]+ 225.078913 160.5
[M+K]+ 246.008248 146.6
[M+H-H2O]+ 190.042350 134.4
[M+HCOO]- 252.043291 158.6
[M+CH3COO]- 266.058941 185.5
[M+Na-2H]- 228.019756 149.1
[M]+ 207.04454142 144.6
[M]- 207.04563858 144.6
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