CID 43649092

5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C4H4F3N3S
SMILES
C(C1=NN=C(S1)N)C(F)(F)F
InChI
InChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-10-3(8)11-2/h1H2,(H2,8,10)
InChIKey
CDSRXGMMNMKIAT-UHFFFAOYSA-N
Compound name
5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

183.0078 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01508 129.1
[M+Na]+ 205.99702 139.6
[M-H]- 182.00052 126.6
[M+NH4]+ 201.04162 148.4
[M+K]+ 221.97096 136.8
[M+H-H2O]+ 166.00506 120.4
[M+HCOO]- 228.00600 143.9
[M+CH3COO]- 242.02165 178.7
[M+Na-2H]- 203.98247 131.6
[M]+ 183.00725 125.8
[M]- 183.00835 125.8
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