CID 5409279

59887-89-7

Structural Information

Molecular Formula
C9H6O3
SMILES
C1=CC2=C(C=C1O)OC=CC2=O
InChI
InChI=1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H
InChIKey
WVJCRTSTRGRJJT-UHFFFAOYSA-N
Compound name
7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

403
Patents

162.0317 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.03898 127.1
[M+Na]+ 185.02092 142.5
[M+NH4]+ 180.06552 136.4
[M+K]+ 200.99486 136.3
[M-H]- 161.02442 131.0
[M+Na-2H]- 183.00637 134.7
[M]+ 162.03115 130.5
[M]- 162.03225 130.5
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