CID 20394

2-(chloromethyl)quinoline

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2816
Patents

177.03453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.041806 132.7
[M+Na]+ 200.023748 142.9
[M-H]- 176.027254 135.8
[M+NH4]+ 195.068353 153.6
[M+K]+ 215.997688 138.0
[M+H-H2O]+ 160.031790 126.7
[M+HCOO]- 222.032731 150.9
[M+CH3COO]- 236.048381 146.7
[M+Na-2H]- 198.009196 142.6
[M]+ 177.03398142 134.6
[M]- 177.03507858 134.6
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