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 150.8
[M+Na]+ 278.01099 162.2
[M-H]- 254.01449 153.4
[M+NH4]+ 273.05559 169.4
[M+K]+ 293.98493 156.1
[M+H-H2O]+ 238.01903 145.2
[M+HCOO]- 300.01997 163.3
[M+CH3COO]- 314.03562 194.2
[M+Na-2H]- 275.99644 157.2
[M]+ 255.02122 156.6
[M]- 255.02232 156.6
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