CID 104115

2,4,5-triethoxybenzophenone

Structural Information

Molecular Formula

C₁₉H₂₂O₄

SMILES

CCOC1=CC(=C(C=C1C(=O)C2=CC=CC=C2)OCC)OCC

InChI

InChI=1S/C19H22O4/c1-4-21-16-13-18(23-6-3)17(22-5-2)12-15(16)19(20)14-10-8-7-9-11-14/h7-13H,4-6H2,1-3H3

InChIKey

ATJSQHQJQSASKB-UHFFFAOYSA-N

Compound name

phenyl-(2,4,5-triethoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 314.1518 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	315.159076	174.0
[M+Na]+	337.141018	180.8
[M-H]-	313.144524	180.6
[M+NH4]+	332.185623	188.6
[M+K]+	353.114958	178.2
[M+H-H2O]+	297.149060	165.5
[M+HCOO]-	359.150001	196.7
[M+CH3COO]-	373.165651	208.6
[M+Na-2H]-	335.126466	176.0
[M]+	314.15125142	180.4
[M]-	314.15234858	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe