CID 135405330

Benzil dioxime

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H/b15-13+,16-14+

InChIKey

JJZONEUCDUQVGR-WXUKJITCSA-N

Compound name

(NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1098
Patents: 240.08987 Da
Monoisotopic Mass: 3.4
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]+	241.09715	152.8
[M+Na]+	263.07909	157.6
[M-H]-	239.08259	159.2
[M+NH4]+	258.12369	168.8
[M+K]+	279.05303	154.6
[M+H-H2O]+	223.08713	144.7
[M+HCOO]-	285.08807	178.0
[M+CH3COO]-	299.10372	194.8
[M+Na-2H]-	261.06454	159.2
[M]+	240.08932	150.4
[M]-	240.09042	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe