CID 6398987

1,2-diphenylethanedione monoxime

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C(C=C1)/C(=N/O)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H11NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h1-10,17H/b15-13-

InChIKey

OLBYFEGTUWWPTR-SQFISAMPSA-N

Compound name

(2Z)-2-hydroxyimino-1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 43
Patents: 225.07898 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]+	226.08626	149.0
[M+Na]+	248.06820	154.7
[M-H]-	224.07170	155.5
[M+NH4]+	243.11280	166.0
[M+K]+	264.04214	151.6
[M+H-H2O]+	208.07624	141.3
[M+HCOO]-	270.07718	173.2
[M+CH3COO]-	284.09283	190.4
[M+Na-2H]-	246.05365	155.0
[M]+	225.07843	147.4
[M]-	225.07953	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe