CID 43625016

5-[(trifluoromethyl)sulfanyl]-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C3H2F3N3S2
SMILES
C1(=NN=C(S1)SC(F)(F)F)N
InChI
InChI=1S/C3H2F3N3S2/c4-3(5,6)11-2-9-8-1(7)10-2/h(H2,7,8)
InChIKey
YARYPXLLNXRQTP-UHFFFAOYSA-N
Compound name
5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.96422 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.97150 129.2
[M+Na]+ 223.95344 140.3
[M-H]- 199.95694 126.6
[M+NH4]+ 218.99804 148.0
[M+K]+ 239.92738 136.2
[M+H-H2O]+ 183.96148 120.9
[M+HCOO]- 245.96242 138.7
[M+CH3COO]- 259.97807 180.7
[M+Na-2H]- 221.93889 129.9
[M]+ 200.96367 126.6
[M]- 200.96477 126.6
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.