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 154.6
[M+Na]+ 283.05770 163.1
[M-H]- 259.06120 158.4
[M+NH4]+ 278.10230 169.5
[M+K]+ 299.03164 159.8
[M+H-H2O]+ 243.06574 148.0
[M+HCOO]- 305.06668 174.6
[M+CH3COO]- 319.08233 190.1
[M+Na-2H]- 281.04315 157.4
[M]+ 260.06793 155.6
[M]- 260.06903 155.6
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