CID 723666

299936-22-4

Structural Information

Molecular Formula
C9H8FN3S2
SMILES
C1=CC(=CC=C1CSC2=NN=C(S2)N)F
InChI
InChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-14-9-13-12-8(11)15-9/h1-4H,5H2,(H2,11,12)
InChIKey
OPAKWVMMTCNRJQ-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

23
Patents

241.01437 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02165 143.9
[M+Na]+ 264.00359 155.0
[M-H]- 240.00709 147.1
[M+NH4]+ 259.04819 161.5
[M+K]+ 279.97753 149.0
[M+H-H2O]+ 224.01163 136.3
[M+HCOO]- 286.01257 157.1
[M+CH3COO]- 300.02822 156.3
[M+Na-2H]- 261.98904 144.3
[M]+ 241.01382 144.6
[M]- 241.01492 144.6
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