CID 36279

2,2',5-trimethoxybenzophenone

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=C(C=C1)OC)C(=O)C2=CC=CC=C2OC
InChI
InChI=1S/C16H16O4/c1-18-11-8-9-15(20-3)13(10-11)16(17)12-6-4-5-7-14(12)19-2/h4-10H,1-3H3
InChIKey
JHXMMMMAUMABDT-UHFFFAOYSA-N
Compound name
(2,5-dimethoxyphenyl)-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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