CID 103372

Ethanol, 2-phenoxy-, phosphate

Structural Information

Molecular Formula

C₈H₁₁O₅P

SMILES

C1=CC=C(C=C1)OCCOP(=O)(O)O

InChI

InChI=1S/C8H11O5P/c9-14(10,11)13-7-6-12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,9,10,11)

InChIKey

KSTDNMVCVQWPJG-UHFFFAOYSA-N

Compound name

2-phenoxyethyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 384
Patents: 218.03441 Da
Monoisotopic Mass: 0.1
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]+	219.04169	146.0
[M+Na]+	241.02363	152.7
[M-H]-	217.02713	145.7
[M+NH4]+	236.06823	163.3
[M+K]+	256.99757	151.6
[M+H-H2O]+	201.03167	138.1
[M+HCOO]-	263.03261	172.6
[M+CH3COO]-	277.04826	179.9
[M+Na-2H]-	239.00908	150.8
[M]+	218.03386	149.1
[M]-	218.03496	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe