CID 3014123

2-(2-phenylhydrazino)tropone

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

C1=CC=C(C=C1)NNC2=CC=CC=CC2=O

InChI

InChI=1S/C13H12N2O/c16-13-10-6-2-5-9-12(13)15-14-11-7-3-1-4-8-11/h1-10,14H,(H,15,16)

InChIKey

SLRYANZZBALGOE-UHFFFAOYSA-N

Compound name

2-(2-phenylhydrazinyl)cyclohepta-2,4,6-trien-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.09496 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]+	213.102236	145.2
[M+Na]+	235.084178	150.1
[M-H]-	211.087684	153.0
[M+NH4]+	230.128783	161.8
[M+K]+	251.058118	151.7
[M+H-H2O]+	195.092220	138.7
[M+HCOO]-	257.093161	171.3
[M+CH3COO]-	271.108811	192.4
[M+Na-2H]-	233.069626	153.2
[M]+	212.09441142	140.7
[M]-	212.09550858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe