CID 2512529

2-chloro-3-(chloromethyl)-7-methoxyquinoline

Structural Information

Molecular Formula
C11H9Cl2NO
SMILES
COC1=CC2=NC(=C(C=C2C=C1)CCl)Cl
InChI
InChI=1S/C11H9Cl2NO/c1-15-9-3-2-7-4-8(6-12)11(13)14-10(7)5-9/h2-5H,6H2,1H3
InChIKey
ICHNEESGHIDYMZ-UHFFFAOYSA-N
Compound name
2-chloro-3-(chloromethyl)-7-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

241.00612 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01340 146.0
[M+Na]+ 263.99534 157.9
[M-H]- 239.99884 148.9
[M+NH4]+ 259.03994 165.3
[M+K]+ 279.96928 152.1
[M+H-H2O]+ 224.00338 140.7
[M+HCOO]- 286.00432 158.9
[M+CH3COO]- 300.01997 159.3
[M+Na-2H]- 261.98079 153.0
[M]+ 241.00557 151.6
[M]- 241.00667 151.6
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

No patent data available for this compound.