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

32
Patents

210.99556 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00284 138.5
[M+Na]+ 233.98478 150.0
[M-H]- 209.98828 141.1
[M+NH4]+ 229.02938 158.7
[M+K]+ 249.95872 143.8
[M+H-H2O]+ 193.99282 133.3
[M+HCOO]- 255.99376 151.5
[M+CH3COO]- 270.00941 152.0
[M+Na-2H]- 231.97023 146.8
[M]+ 210.99501 141.9
[M]- 210.99611 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