CID 18924569

1-(2,2,2-trifluoroethyl)-1h-1,2,3,4-tetrazole-5-thiol

Structural Information

Molecular Formula
C3H3F3N4S
SMILES
C(C(F)(F)F)N1C(=S)N=NN1
InChI
InChI=1S/C3H3F3N4S/c4-3(5,6)1-10-2(11)7-8-9-10/h1H2,(H,7,9,11)
InChIKey
AMPTXMDDXPPILG-UHFFFAOYSA-N
Compound name
1-(2,2,2-trifluoroethyl)-2H-tetrazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

184.00305 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.010326 129.9
[M+Na]+ 206.992268 141.7
[M-H]- 182.995774 124.1
[M+NH4]+ 202.036873 146.4
[M+K]+ 222.966208 137.9
[M+H-H2O]+ 167.000310 120.7
[M+HCOO]- 229.001251 140.7
[M+CH3COO]- 243.016901 174.1
[M+Na-2H]- 204.977716 132.4
[M]+ 184.00250142 126.5
[M]- 184.00359858 126.5
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

patents stripe