CID 5538956

Benzil monohydrazone

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

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

InChI

InChI=1S/C14H12N2O/c15-16-13(11-7-3-1-4-8-11)14(17)12-9-5-2-6-10-12/h1-10H,15H2/b16-13+

InChIKey

CDQPGWNBSOSEMZ-DTQAZKPQSA-N

Compound name

(2E)-2-hydrazinylidene-1,2-diphenylethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 88
Patents: 224.09496 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]+	225.102236	149.9
[M+Na]+	247.084178	155.2
[M-H]-	223.087684	157.1
[M+NH4]+	242.128783	167.1
[M+K]+	263.058118	152.1
[M+H-H2O]+	207.092220	141.8
[M+HCOO]-	269.093161	175.8
[M+CH3COO]-	283.108811	195.2
[M+Na-2H]-	245.069626	155.7
[M]+	224.09441142	147.1
[M]-	224.09550858	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe