CID 81876

7392-62-3

Structural Information

Molecular Formula
C14H12O5
SMILES
COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C14H12O5/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,15-17H,1H3
InChIKey
YLQYOUPUVFQNLO-UHFFFAOYSA-N
Compound name
(2,4-dihydroxyphenyl)-(2-hydroxy-4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

260.06848 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07576 156.4
[M+Na]+ 283.05770 169.5
[M+NH4]+ 278.10230 162.7
[M+K]+ 299.03164 164.9
[M-H]- 259.06120 158.3
[M+Na-2H]- 281.04315 162.7
[M]+ 260.06793 158.6
[M]- 260.06903 158.6
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