CID 13282

Diphenyl phosphate

Structural Information

Molecular Formula

C₁₂H₁₁O₄P

SMILES

C1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC=C2

InChI

InChI=1S/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)

InChIKey

ASMQGLCHMVWBQR-UHFFFAOYSA-N

Compound name

diphenyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 32
References: 27776
Patents: 250.03949 Da
Monoisotopic Mass: 1.4
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]+	251.046766	154.1
[M+Na]+	273.028708	160.7
[M-H]-	249.032214	158.3
[M+NH4]+	268.073313	170.3
[M+K]+	289.002648	158.5
[M+H-H2O]+	233.036750	144.6
[M+HCOO]-	295.037691	182.0
[M+CH3COO]-	309.053341	188.2
[M+Na-2H]-	271.014156	159.4
[M]+	250.03894142	156.1
[M]-	250.04003858	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe