CID 83430

P-tert-butylphenyl dihydrogen phosphate

Structural Information

Molecular Formula

C₁₀H₁₅O₄P

SMILES

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

InChI

InChI=1S/C10H15O4P/c1-10(2,3)8-4-6-9(7-5-8)14-15(11,12)13/h4-7H,1-3H3,(H2,11,12,13)

InChIKey

BFVWABPNHXPWPS-UHFFFAOYSA-N

Compound name

(4-tert-butylphenyl) dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 379
Patents: 230.0708 Da
Monoisotopic Mass: 1.9
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]+	231.07808	150.4
[M+Na]+	253.06002	160.2
[M+NH4]+	248.10462	156.2
[M+K]+	269.03396	157.2
[M-H]-	229.06352	148.8
[M+Na-2H]-	251.04547	154.4
[M]+	230.07025	151.1
[M]-	230.07135	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe