CID 123493

3,3'-dimethoxybenzil

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC=CC(=C1)C(=O)C(=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H14O4/c1-19-13-7-3-5-11(9-13)15(17)16(18)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
InChIKey
PJGXOGKIVAJFTE-UHFFFAOYSA-N
Compound name
1,2-bis(3-methoxyphenyl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

52
Patents

270.0892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 159.0
[M+Na]+ 293.078418 166.3
[M-H]- 269.081924 165.9
[M+NH4]+ 288.123023 174.9
[M+K]+ 309.052358 164.2
[M+H-H2O]+ 253.086460 151.2
[M+HCOO]- 315.087401 181.9
[M+CH3COO]- 329.103051 198.6
[M+Na-2H]- 291.063866 162.2
[M]+ 270.08865142 162.6
[M]- 270.08974858 162.6
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