CID 416881

5-(chloromethyl)quinolin-8-ol

Structural Information

Molecular Formula
C10H8ClNO
SMILES
C1=CC2=C(C=CC(=C2N=C1)O)CCl
InChI
InChI=1S/C10H8ClNO/c11-6-7-3-4-9(13)10-8(7)2-1-5-12-10/h1-5,13H,6H2
InChIKey
JGOBHUWKRDXZEY-UHFFFAOYSA-N
Compound name
5-(chloromethyl)quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

230
Patents

193.02943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.036706 136.1
[M+Na]+ 216.018648 146.8
[M-H]- 192.022154 138.3
[M+NH4]+ 211.063253 156.0
[M+K]+ 231.992588 141.6
[M+H-H2O]+ 176.026690 130.7
[M+HCOO]- 238.027631 153.1
[M+CH3COO]- 252.043281 149.7
[M+Na-2H]- 214.004096 144.8
[M]+ 193.02888142 138.1
[M]- 193.02997858 138.1
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