CID 4256080

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

Structural Information

Molecular Formula
C12H11Cl2NO
SMILES
COC1=CC2=NC(=C(C=C2C=C1)CCCl)Cl
InChI
InChI=1S/C12H11Cl2NO/c1-16-10-3-2-8-6-9(4-5-13)12(14)15-11(8)7-10/h2-3,6-7H,4-5H2,1H3
InChIKey
PTQQTMBBFHOZTL-UHFFFAOYSA-N
Compound name
2-chloro-3-(2-chloroethyl)-7-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.02177 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02905 150.9
[M+Na]+ 278.01099 168.1
[M+NH4]+ 273.05559 160.9
[M+K]+ 293.98493 158.4
[M-H]- 254.01449 154.1
[M+Na-2H]- 275.99644 159.0
[M]+ 255.02122 155.1
[M]- 255.02232 155.1
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