CID 84118

13955-12-9

Structural Information

Molecular Formula

C₁₀H₁₄NO₅PS

SMILES

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

InChI

InChI=1S/C10H14NO5PS/c1-8(2)15-17(18,14-3)16-10-6-4-9(5-7-10)11(12)13/h4-8H,1-3H3

InChIKey

IDTURXUOVKNCOM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 291.03302 Da
Monoisotopic Mass: 3.7
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]+	292.040296	158.8
[M+Na]+	314.022238	164.4
[M-H]-	290.025744	161.7
[M+NH4]+	309.066843	174.4
[M+K]+	329.996178	159.3
[M+H-H2O]+	274.030280	154.6
[M+HCOO]-	336.031221	182.6
[M+CH3COO]-	350.046871	193.5
[M+Na-2H]-	312.007686	162.0
[M]+	291.03247142	163.2
[M]-	291.03356858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.