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]+ 185.01033 129.0
[M+Na]+ 206.99227 139.5
[M-H]- 182.99577 123.9
[M+NH4]+ 202.03687 146.2
[M+K]+ 222.96621 135.9
[M+H-H2O]+ 167.00031 120.0
[M+HCOO]- 229.00125 141.3
[M+CH3COO]- 243.01690 176.0
[M+Na-2H]- 204.97772 131.5
[M]+ 184.00250 124.0
[M]- 184.00360 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.