CID 12355701

4-(chloromethyl)quinoline hydrochloride

Structural Information

Molecular Formula
C10H8ClN
SMILES
C1=CC=C2C(=C1)C(=CC=N2)CCl
InChI
InChI=1S/C10H8ClN/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-6H,7H2
InChIKey
OLSKQWRLRYMCAO-UHFFFAOYSA-N
Compound name
4-(chloromethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

177.03453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04181 132.9
[M+Na]+ 200.02375 149.8
[M+NH4]+ 195.06835 143.8
[M+K]+ 215.99769 140.4
[M-H]- 176.02725 136.8
[M+Na-2H]- 198.00920 142.6
[M]+ 177.03398 137.0
[M]- 177.03508 137.0
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