CID 82634

10444-89-0

Structural Information

Molecular Formula
C3H2F3N3S
SMILES
C1(=NN=C(S1)N)C(F)(F)F
InChI
InChI=1S/C3H2F3N3S/c4-3(5,6)1-8-9-2(7)10-1/h(H2,7,9)
InChIKey
LTEUXHSAYOSFGQ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

732
Patents

168.99216 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.99944 124.6
[M+Na]+ 191.98138 135.6
[M-H]- 167.98488 122.3
[M+NH4]+ 187.02598 144.5
[M+K]+ 207.95532 133.0
[M+H-H2O]+ 151.98942 116.1
[M+HCOO]- 213.99036 139.7
[M+CH3COO]- 228.00601 175.7
[M+Na-2H]- 189.96683 127.6
[M]+ 168.99161 121.0
[M]- 168.99271 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe