CID 53800151

(4-chloroquinolin-2-yl)methanol

Structural Information

Molecular Formula
C10H8ClNO
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)CO)Cl
InChI
InChI=1S/C10H8ClNO/c11-9-5-7(6-13)12-10-4-2-1-3-8(9)10/h1-5,13H,6H2
InChIKey
FHVNKWHGJPSXMG-UHFFFAOYSA-N
Compound name
(4-chloroquinolin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

193.02943 Da
Monoisotopic Mass

2.2
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

No literature data available for this compound.

Patent stripe

patents stripe