CID 15353443

218438-53-0

Structural Information

Molecular Formula
C10H9N3S
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=S)NN2
InChI
InChI=1S/C10H9N3S/c14-10-11-9(12-13-10)7-6-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)/b7-6+
InChIKey
ALHGVKAIXXQXJE-VOTSOKGWSA-N
Compound name
5-[(E)-2-phenylethenyl]-1,2-dihydro-1,2,4-triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05171 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.058986 142.7
[M+Na]+ 226.040928 152.8
[M-H]- 202.044434 143.5
[M+NH4]+ 221.085533 159.0
[M+K]+ 242.014868 145.8
[M+H-H2O]+ 186.048970 135.4
[M+HCOO]- 248.049911 157.8
[M+CH3COO]- 262.065561 154.5
[M+Na-2H]- 224.026376 145.0
[M]+ 203.05116142 140.3
[M]- 203.05225858 140.3
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.