CID 22299284

Ns00044578

Structural Information

Molecular Formula
C8H9N3OS
SMILES
C1=CC=C(C(=C1)C(=S)N)C(=O)NN
InChI
InChI=1S/C8H9N3OS/c9-7(13)5-3-1-2-4-6(5)8(12)11-10/h1-4H,10H2,(H2,9,13)(H,11,12)
InChIKey
UQCICBXZCXVXGQ-UHFFFAOYSA-N
Compound name
2-(hydrazinecarbonyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 140.2
[M+Na]+ 218.035848 146.4
[M-H]- 194.039354 143.0
[M+NH4]+ 213.080453 158.4
[M+K]+ 234.009788 142.8
[M+H-H2O]+ 178.043890 133.5
[M+HCOO]- 240.044831 159.7
[M+CH3COO]- 254.060481 188.3
[M+Na-2H]- 216.021296 141.7
[M]+ 195.04608142 136.5
[M]- 195.04717858 136.5
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.