CID 28964594

3-(chloromethyl)-2-methoxyquinoline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
COC1=NC2=CC=CC=C2C=C1CCl
InChI
InChI=1S/C11H10ClNO/c1-14-11-9(7-12)6-8-4-2-3-5-10(8)13-11/h2-6H,7H2,1H3
InChIKey
NAVYHPAMBVAVQA-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

207.04509 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 140.5
[M+Na]+ 230.03431 151.2
[M-H]- 206.03781 143.9
[M+NH4]+ 225.07891 160.5
[M+K]+ 246.00825 146.6
[M+H-H2O]+ 190.04235 134.4
[M+HCOO]- 252.04329 158.6
[M+CH3COO]- 266.05894 185.5
[M+Na-2H]- 228.01976 149.1
[M]+ 207.04454 144.6
[M]- 207.04564 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