CID 5281343

5,7-dihydroxychromone

Structural Information

Molecular Formula
C9H6O4
SMILES
C1=COC2=CC(=CC(=C2C1=O)O)O
InChI
InChI=1S/C9H6O4/c10-5-3-7(12)9-6(11)1-2-13-8(9)4-5/h1-4,10,12H
InChIKey
NYCXYKOXLNBYID-UHFFFAOYSA-N
Compound name
5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

7848
Patents

178.02661 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03389 129.5
[M+Na]+ 201.01583 140.6
[M-H]- 177.01933 133.5
[M+NH4]+ 196.06043 148.7
[M+K]+ 216.98977 138.8
[M+H-H2O]+ 161.02387 124.5
[M+HCOO]- 223.02481 151.2
[M+CH3COO]- 237.04046 174.8
[M+Na-2H]- 199.00128 139.1
[M]+ 178.02606 131.6
[M]- 178.02716 131.6
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