CID 16421

2104-64-5

Structural Information

Molecular Formula

C₁₄H₁₄NO₄PS

SMILES

CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3

InChIKey

AIGRXSNSLVJMEA-UHFFFAOYSA-N

Compound name

ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 116
References: 6535
Patents: 323.03812 Da
Monoisotopic Mass: 4.4
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]+	324.04540	164.3
[M+Na]+	346.02734	177.2
[M+NH4]+	341.07194	171.8
[M+K]+	362.00128	171.9
[M-H]-	322.03084	168.6
[M+Na-2H]-	344.01279	172.3
[M]+	323.03757	167.7
[M]-	323.03867	167.7

Literature stripe

literature stripe

Patent stripe

patents stripe