CID 4067434

82121-50-4

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC2=C(C=C1Cl)C(=O)C(=CN2)CO
InChI
InChI=1S/C10H8ClNO2/c11-7-1-2-9-8(3-7)10(14)6(5-13)4-12-9/h1-4,13H,5H2,(H,12,14)
InChIKey
NBUZPVCDRWCPSH-UHFFFAOYSA-N
Compound name
6-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 138.8
[M+Na]+ 232.01357 150.2
[M-H]- 208.01707 140.1
[M+NH4]+ 227.05817 157.5
[M+K]+ 247.98751 144.1
[M+H-H2O]+ 192.02161 133.8
[M+HCOO]- 254.02255 154.7
[M+CH3COO]- 268.03820 179.9
[M+Na-2H]- 229.99902 146.3
[M]+ 209.02380 140.1
[M]- 209.02490 140.1
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