CID 83106

13074-11-8

Structural Information

Molecular Formula

C₁₁H₁₆NO₆P

SMILES

CC(C)C1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H16NO6P/c1-8(2)10-7-9(5-6-11(10)12(13)14)18-19(15,16-3)17-4/h5-8H,1-4H3

InChIKey

FFXJBGZEAHBHCF-UHFFFAOYSA-N

Compound name

dimethyl (4-nitro-3-propan-2-ylphenyl) phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 289.07153 Da
Monoisotopic Mass: 2.6
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]+	290.07881	158.6
[M+Na]+	312.06075	169.1
[M+NH4]+	307.10535	163.8
[M+K]+	328.03469	168.8
[M-H]-	288.06425	158.9
[M+Na-2H]-	310.04620	162.1
[M]+	289.07098	159.8
[M]-	289.07208	159.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.