CID 66151

74-59-9

Structural Information

Molecular Formula

C₁₂H₁₈NO₅PS

SMILES

CC(C)OP(=S)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C

InChI

InChI=1S/C12H18NO5PS/c1-9(2)16-19(20,17-10(3)4)18-12-7-5-11(6-8-12)13(14)15/h5-10H,1-4H3

InChIKey

HPRUXUNKZOGTDY-UHFFFAOYSA-N

Compound name

(4-nitrophenoxy)-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 319.06433 Da
Monoisotopic Mass: 4.5
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]+	320.071606	167.5
[M+Na]+	342.053548	171.9
[M-H]-	318.057054	170.0
[M+NH4]+	337.098153	181.8
[M+K]+	358.027488	166.9
[M+H-H2O]+	302.061590	163.0
[M+HCOO]-	364.062531	189.6
[M+CH3COO]-	378.078181	200.2
[M+Na-2H]-	340.038996	168.8
[M]+	319.06378142	172.0
[M]-	319.06487858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe