CID 131341061

4-chloro-1-hydroxy-1h,3h-furo[3,4-c]pyridin-3-one

Structural Information

Molecular Formula
C7H4ClNO3
SMILES
C1=CN=C(C2=C1C(OC2=O)O)Cl
InChI
InChI=1S/C7H4ClNO3/c8-5-4-3(1-2-9-5)6(10)12-7(4)11/h1-2,6,10H
InChIKey
SMWAWMYEPAFAMS-UHFFFAOYSA-N
Compound name
4-chloro-1-hydroxy-1H-furo[3,4-c]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

184.98798 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.99526 131.4
[M+Na]+ 207.97720 143.4
[M-H]- 183.98070 134.8
[M+NH4]+ 203.02180 152.2
[M+K]+ 223.95114 140.6
[M+H-H2O]+ 167.98524 127.0
[M+HCOO]- 229.98618 148.3
[M+CH3COO]- 244.00183 175.7
[M+Na-2H]- 205.96265 138.2
[M]+ 184.98743 134.7
[M]- 184.98853 134.7
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