CID 77387

2,4,6-trimethoxybenzophenone

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C16H16O4/c1-18-12-9-13(19-2)15(14(10-12)20-3)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey
KFZFLPQFBYUOHV-UHFFFAOYSA-N
Compound name
phenyl-(2,4,6-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

67
Patents

272.10486 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 159.9
[M+Na]+ 295.09408 168.1
[M-H]- 271.09758 167.1
[M+NH4]+ 290.13868 176.2
[M+K]+ 311.06802 166.1
[M+H-H2O]+ 255.10212 152.1
[M+HCOO]- 317.10306 183.6
[M+CH3COO]- 331.11871 199.7
[M+Na-2H]- 293.07953 163.6
[M]+ 272.10431 165.2
[M]- 272.10541 165.2
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