CID 16206050

2-(1-phenylethyl)phenyl dihydrogen phosphate

Structural Information

Molecular Formula

C₁₄H₁₅O₄P

SMILES

CC(C1=CC=CC=C1)C2=CC=CC=C2OP(=O)(O)O

InChI

InChI=1S/C14H15O4P/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14(13)18-19(15,16)17/h2-11H,1H3,(H2,15,16,17)

InChIKey

FYMUMQJGVYLCJF-UHFFFAOYSA-N

Compound name

[2-(1-phenylethyl)phenyl] dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 278.0708 Da
Monoisotopic Mass: 2.5
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]+	279.078076	163.7
[M+Na]+	301.060018	169.6
[M-H]-	277.063524	166.6
[M+NH4]+	296.104623	178.3
[M+K]+	317.033958	166.7
[M+H-H2O]+	261.068060	154.4
[M+HCOO]-	323.069001	188.4
[M+CH3COO]-	337.084651	193.8
[M+Na-2H]-	299.045466	165.7
[M]+	278.07025142	164.3
[M]-	278.07134858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe