CID 4296309

8-chloro-3-(hydroxymethyl)quinolin-4-ol

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC2=C(C(=C1)Cl)NC=C(C2=O)CO
InChI
InChI=1S/C10H8ClNO2/c11-8-3-1-2-7-9(8)12-4-6(5-13)10(7)14/h1-4,13H,5H2,(H,12,14)
InChIKey
BAAKQOFDIXIXKK-UHFFFAOYSA-N
Compound name
8-chloro-3-(hydroxymethyl)-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

209.02435 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03163 139.3
[M+Na]+ 232.01357 154.9
[M+NH4]+ 227.05817 148.0
[M+K]+ 247.98751 147.5
[M-H]- 208.01707 141.0
[M+Na-2H]- 229.99902 146.2
[M]+ 209.02380 142.3
[M]- 209.02490 142.3
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