CID 93246

46355-07-1

Structural Information

Molecular Formula

C₉H₁₃O₄P

SMILES

CC(C)OP(=O)(O)OC1=CC=CC=C1

InChI

InChI=1S/C9H13O4P/c1-8(2)12-14(10,11)13-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,10,11)

InChIKey

WRXFONORSZHETC-UHFFFAOYSA-N

Compound name

phenyl propan-2-yl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 766
Patents: 216.05515 Da
Monoisotopic Mass: 1.6
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]+	217.06243	147.4
[M+Na]+	239.04437	154.0
[M-H]-	215.04787	148.5
[M+NH4]+	234.08897	165.6
[M+K]+	255.01831	153.5
[M+H-H2O]+	199.05241	139.6
[M+HCOO]-	261.05335	174.1
[M+CH3COO]-	275.06900	184.1
[M+Na-2H]-	237.02982	150.9
[M]+	216.05460	150.8
[M]-	216.05570	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe