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

0
Patents

212.09496 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.10224 145.2
[M+Na]+ 235.08418 150.1
[M-H]- 211.08768 153.0
[M+NH4]+ 230.12878 161.8
[M+K]+ 251.05812 151.7
[M+H-H2O]+ 195.09222 138.7
[M+HCOO]- 257.09316 171.3
[M+CH3COO]- 271.10881 192.4
[M+Na-2H]- 233.06963 153.2
[M]+ 212.09441 140.7
[M]- 212.09551 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe