CID 741058

39181-53-8

Structural Information

Molecular Formula
C9H8FN3S
SMILES
C1=CC=C(C(=C1)CC2=NN=C(S2)N)F
InChI
InChI=1S/C9H8FN3S/c10-7-4-2-1-3-6(7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKey
KMYBNTVFQUSIQM-UHFFFAOYSA-N
Compound name
5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

209.0423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.04958 141.1
[M+Na]+ 232.03152 153.2
[M+NH4]+ 227.07612 149.4
[M+K]+ 248.00546 146.5
[M-H]- 208.03502 143.5
[M+Na-2H]- 230.01697 148.4
[M]+ 209.04175 143.8
[M]- 209.04285 143.8
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