CID 5318179

5-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C9H6O3
SMILES
C1=CC(=C2C=CC(=O)OC2=C1)O
InChI
InChI=1S/C9H6O3/c10-7-2-1-3-8-6(7)4-5-9(11)12-8/h1-5,10H
InChIKey
CDHSCTCRBLLCBJ-UHFFFAOYSA-N
Compound name
5-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

414
Patents

162.0317 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03898 126.0
[M+Na]+ 185.02092 136.7
[M-H]- 161.02442 131.0
[M+NH4]+ 180.06552 146.3
[M+K]+ 200.99486 135.2
[M+H-H2O]+ 145.02896 120.7
[M+HCOO]- 207.02990 149.0
[M+CH3COO]- 221.04555 173.8
[M+Na-2H]- 183.00637 136.7
[M]+ 162.03115 128.0
[M]- 162.03225 128.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe