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

16
Patents

193.02943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 136.1
[M+Na]+ 216.01865 146.8
[M-H]- 192.02215 138.3
[M+NH4]+ 211.06325 156.0
[M+K]+ 231.99259 141.6
[M+H-H2O]+ 176.02669 130.7
[M+HCOO]- 238.02763 153.1
[M+CH3COO]- 252.04328 149.7
[M+Na-2H]- 214.00410 144.8
[M]+ 193.02888 138.1
[M]- 193.02998 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