CID 95415

Anisoin

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C16H16O4/c1-19-13-7-3-11(4-8-13)15(17)16(18)12-5-9-14(20-2)10-6-12/h3-10,15,17H,1-2H3
InChIKey
LRRQSCPPOIUNGX-UHFFFAOYSA-N
Compound name
2-hydroxy-1,2-bis(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

7140
Patents

272.10486 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 161.4
[M+Na]+ 295.09408 174.6
[M+NH4]+ 290.13868 168.6
[M+K]+ 311.06802 168.8
[M-H]- 271.09758 164.4
[M+Na-2H]- 293.07953 169.0
[M]+ 272.10431 164.1
[M]- 272.10541 164.1
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