CID 3072323

141790-32-1

Structural Information

Molecular Formula
C24H34O7P2
SMILES
CCOP(=O)(C(CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)OCC
InChI
InChI=1S/C24H34O7P2/c1-5-28-32(26,29-6-2)23(33(27,30-7-3)31-8-4)19-22(20-15-11-9-12-16-20)24(25)21-17-13-10-14-18-21/h9-18,22-23H,5-8,19H2,1-4H3
InChIKey
ZTGFXSKXKPGTCJ-UHFFFAOYSA-N
Compound name
4,4-bis(diethoxyphosphoryl)-1,2-diphenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

496.17798 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.18526 222.7
[M+Na]+ 519.16720 223.0
[M-H]- 495.17070 225.1
[M+NH4]+ 514.21180 229.3
[M+K]+ 535.14114 222.7
[M+H-H2O]+ 479.17524 208.6
[M+HCOO]- 541.17618 249.1
[M+CH3COO]- 555.19183 240.4
[M+Na-2H]- 517.15265 218.6
[M]+ 496.17743 231.9
[M]- 496.17853 231.9
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