CID 21401974

Phosphoric acid phenyl 4-biphenylyl ester

Structural Information

Molecular Formula

C₁₈H₁₅O₄P

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)OP(=O)(O)OC3=CC=CC=C3

InChI

InChI=1S/C18H15O4P/c19-23(20,21-17-9-5-2-6-10-17)22-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H,(H,19,20)

InChIKey

NMCPSADUPYPUFV-UHFFFAOYSA-N

Compound name

phenyl (4-phenylphenyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 326.0708 Da
Monoisotopic Mass: 4.2
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]+	327.078076	175.4
[M+Na]+	349.060018	181.3
[M-H]-	325.063524	182.4
[M+NH4]+	344.104623	188.0
[M+K]+	365.033958	177.5
[M+H-H2O]+	309.068060	163.9
[M+HCOO]-	371.069001	202.2
[M+CH3COO]-	385.084651	203.6
[M+Na-2H]-	347.045466	179.0
[M]+	326.07025142	176.6
[M]-	326.07134858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe