CID 848588

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

Structural Information

Molecular Formula
C8H6FN3S
SMILES
C1=CC(=CC(=C1)F)C2=NN=C(S2)N
InChI
InChI=1S/C8H6FN3S/c9-6-3-1-2-5(4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKey
HIUFXEMEPWWSHH-UHFFFAOYSA-N
Compound name
5-(3-fluorophenyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

51
Patents

195.02664 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03392 135.2
[M+Na]+ 218.01586 146.4
[M-H]- 194.01936 138.8
[M+NH4]+ 213.06046 154.3
[M+K]+ 233.98980 141.9
[M+H-H2O]+ 178.02390 127.2
[M+HCOO]- 240.02484 154.2
[M+CH3COO]- 254.04049 148.9
[M+Na-2H]- 216.00131 138.2
[M]+ 195.02609 134.6
[M]- 195.02719 134.6
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