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]+ 204.05899 142.7
[M+Na]+ 226.04093 152.8
[M-H]- 202.04443 143.5
[M+NH4]+ 221.08553 159.0
[M+K]+ 242.01487 145.8
[M+H-H2O]+ 186.04897 135.4
[M+HCOO]- 248.04991 157.8
[M+CH3COO]- 262.06556 154.5
[M+Na-2H]- 224.02638 145.0
[M]+ 203.05116 140.3
[M]- 203.05226 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.