CID 384143

4,6-dichloro-3-(2-chloroethyl)-2-methylquinoline

Structural Information

Molecular Formula
C12H10Cl3N
SMILES
CC1=C(C(=C2C=C(C=CC2=N1)Cl)Cl)CCCl
InChI
InChI=1S/C12H10Cl3N/c1-7-9(4-5-13)12(15)10-6-8(14)2-3-11(10)16-7/h2-3,6H,4-5H2,1H3
InChIKey
UWRNWBVHBOCMTP-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-(2-chloroethyl)-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

272.98788 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.99516 153.8
[M+Na]+ 295.97710 165.9
[M-H]- 271.98060 155.3
[M+NH4]+ 291.02170 171.9
[M+K]+ 311.95104 158.7
[M+H-H2O]+ 255.98514 149.0
[M+HCOO]- 317.98608 160.5
[M+CH3COO]- 332.00173 165.7
[M+Na-2H]- 293.96255 158.2
[M]+ 272.98733 158.5
[M]- 272.98843 158.5
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