CID 16447293

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

Structural Information

Molecular Formula
C8H6FN3S
SMILES
C1=CC(=CC=C1C2=NSC(=N2)N)F
InChI
InChI=1S/C8H6FN3S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChIKey
UFUTXJNYAQSYKE-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

195.02664 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03392 136.7
[M+Na]+ 218.01586 148.9
[M+NH4]+ 213.06046 145.1
[M+K]+ 233.98980 142.5
[M-H]- 194.01936 139.1
[M+Na-2H]- 216.00131 144.2
[M]+ 195.02609 139.4
[M]- 195.02719 139.4
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