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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.