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

literature stripe

Patent stripe

patents stripe