CID 21919319

5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C9H8FN3O
SMILES
C1=CC(=CC=C1CC2=NN=C(O2)N)F
InChI
InChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
InChIKey
YZCYIPLTOREIPI-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

193.06514 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07242 139.1
[M+Na]+ 216.05436 151.6
[M+NH4]+ 211.09896 146.4
[M+K]+ 232.02830 147.8
[M-H]- 192.05786 142.0
[M+Na-2H]- 214.03981 146.2
[M]+ 193.06459 141.5
[M]- 193.06569 141.5
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