CID 9579132

Acetophenone, thiosemicarbazone-

Structural Information

Molecular Formula
C9H9N3OS
SMILES
C1=CC=C(C=C1)C(=O)/C=N/NC(=S)N
InChI
InChI=1S/C9H9N3OS/c10-9(14)12-11-6-8(13)7-4-2-1-3-5-7/h1-6H,(H3,10,12,14)/b11-6+
InChIKey
XCBDBOGUXHAHRL-IZZDOVSWSA-N
Compound name
[(E)-phenacylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.04663 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 143.8
[M+Na]+ 230.03585 149.5
[M-H]- 206.03935 148.1
[M+NH4]+ 225.08045 162.2
[M+K]+ 246.00979 146.3
[M+H-H2O]+ 190.04389 136.5
[M+HCOO]- 252.04483 165.4
[M+CH3COO]- 266.06048 191.6
[M+Na-2H]- 228.02130 147.0
[M]+ 207.04608 142.2
[M]- 207.04718 142.2
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.