CID 426896

Diphenoxyphosphanolate

Structural Information

Molecular Formula
C12H11O3P
SMILES
C1=CC=C(C=C1)OP(O)OC2=CC=CC=C2
InChI
InChI=1S/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13H
InChIKey
FYOYCZHNDCCGCE-UHFFFAOYSA-N
Compound name
diphenyl hydrogen phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13596
Patents

234.04459 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05187 151.6
[M+Na]+ 257.03381 157.4
[M-H]- 233.03731 155.5
[M+NH4]+ 252.07841 168.4
[M+K]+ 273.00775 155.2
[M+H-H2O]+ 217.04185 141.9
[M+HCOO]- 279.04279 179.7
[M+CH3COO]- 293.05844 187.4
[M+Na-2H]- 255.01926 154.7
[M]+ 234.04404 152.8
[M]- 234.04514 152.8
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