CID 13441

884-49-1

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C1CS(=O)(=O)CC1NNC2=CC=CC=C2
InChI
InChI=1S/C10H14N2O2S/c13-15(14)7-6-10(8-15)12-11-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKey
RFTNJABYPCOMMW-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothiolan-3-yl)-2-phenylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.0776 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 145.4
[M+Na]+ 249.06682 152.6
[M-H]- 225.07032 152.2
[M+NH4]+ 244.11142 167.0
[M+K]+ 265.04076 149.1
[M+H-H2O]+ 209.07486 139.5
[M+HCOO]- 271.07580 166.7
[M+CH3COO]- 285.09145 187.4
[M+Na-2H]- 247.05227 150.1
[M]+ 226.07705 144.3
[M]- 226.07815 144.3
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

No patent data available for this compound.