CID 95651

30587-18-9

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC=CC=C1C(C(=O)C2=CC=CC=C2OC)O
InChI
InChI=1S/C16H16O4/c1-19-13-9-5-3-7-11(13)15(17)16(18)12-8-4-6-10-14(12)20-2/h3-10,15,17H,1-2H3
InChIKey
CKZXADVHFFKWKQ-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2-bis(2-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

22
Patents

272.10486 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.112136 160.8
[M+Na]+ 295.094078 167.3
[M-H]- 271.097584 166.3
[M+NH4]+ 290.138683 176.0
[M+K]+ 311.068018 165.0
[M+H-H2O]+ 255.102120 153.3
[M+HCOO]- 317.103061 182.0
[M+CH3COO]- 331.118711 196.9
[M+Na-2H]- 293.079526 163.5
[M]+ 272.10431142 163.3
[M]- 272.10540858 163.3
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

No patent data available for this compound.