CID 2063384

2-chloro-3-(chloromethyl)quinoline

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

8
References

84
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

literature stripe

Patent stripe

patents stripe