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

3
Patents

314.1518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 174.0
[M+Na]+ 337.14102 180.8
[M-H]- 313.14452 180.6
[M+NH4]+ 332.18562 188.6
[M+K]+ 353.11496 178.2
[M+H-H2O]+ 297.14906 165.5
[M+HCOO]- 359.15000 196.7
[M+CH3COO]- 373.16565 208.6
[M+Na-2H]- 335.12647 176.0
[M]+ 314.15125 180.4
[M]- 314.15235 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe