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

7
Patents

184.00305 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01033 129.9
[M+Na]+ 206.99227 141.7
[M-H]- 182.99577 124.1
[M+NH4]+ 202.03687 146.4
[M+K]+ 222.96621 137.9
[M+H-H2O]+ 167.00031 120.7
[M+HCOO]- 229.00125 140.7
[M+CH3COO]- 243.01690 174.1
[M+Na-2H]- 204.97772 132.4
[M]+ 184.00250 126.5
[M]- 184.00360 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