CID 22241473

4-chloro-2-(chloromethyl)quinoline

Structural Information

Molecular Formula
C10H7Cl2N
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)CCl)Cl
InChI
InChI=1S/C10H7Cl2N/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-5H,6H2
InChIKey
BEDVIIYPOFMZRE-UHFFFAOYSA-N
Compound name
4-chloro-2-(chloromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

210.99556 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.002836 138.5
[M+Na]+ 233.984778 150.0
[M-H]- 209.988284 141.1
[M+NH4]+ 229.029383 158.7
[M+K]+ 249.958718 143.8
[M+H-H2O]+ 193.992820 133.3
[M+HCOO]- 255.993761 151.5
[M+CH3COO]- 270.009411 152.0
[M+Na-2H]- 231.970226 146.8
[M]+ 210.99501142 141.9
[M]- 210.99610858 141.9
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