CID 107973

Epn oxon

Structural Information

Molecular Formula

C₁₄H₁₄NO₅P

SMILES

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

InChI

InChI=1S/C14H14NO5P/c1-2-19-21(18,14-6-4-3-5-7-14)20-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3

InChIKey

PDABPGQGULTJFY-UHFFFAOYSA-N

Compound name

1-[ethoxy(phenyl)phosphoryl]oxy-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 12
Patents: 307.06097 Da
Monoisotopic Mass: 2.7
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]+	308.06825	167.2
[M+Na]+	330.05019	172.6
[M-H]-	306.05369	172.9
[M+NH4]+	325.09479	181.1
[M+K]+	346.02413	166.8
[M+H-H2O]+	290.05823	161.5
[M+HCOO]-	352.05917	196.7
[M+CH3COO]-	366.07482	197.1
[M+Na-2H]-	328.03564	173.8
[M]+	307.06042	169.4
[M]-	307.06152	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe