CID 22439585

1154963-41-3

Structural Information

Molecular Formula
C3H3F3N4S
SMILES
C1(=NC(=NN1)SC(F)(F)F)N
InChI
InChI=1S/C3H3F3N4S/c4-3(5,6)11-2-8-1(7)9-10-2/h(H3,7,8,9,10)
InChIKey
LZTIMAZQEGROEN-UHFFFAOYSA-N
Compound name
3-(trifluoromethylsulfanyl)-1H-1,2,4-triazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.00305 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.010326 129.0
[M+Na]+ 206.992268 139.5
[M-H]- 182.995774 123.9
[M+NH4]+ 202.036873 146.2
[M+K]+ 222.966208 135.9
[M+H-H2O]+ 167.000310 120.0
[M+HCOO]- 229.001251 141.3
[M+CH3COO]- 243.016901 176.0
[M+Na-2H]- 204.977716 131.5
[M]+ 184.00250142 124.0
[M]- 184.00359858 124.0
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.