CID 2795651

3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C9H8FN3O
SMILES
C1=CC(=CC=C1CC2=NOC(=N2)N)F
InChI
InChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKey
SOEJAETWBKZKOE-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06514 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07242 137.4
[M+Na]+ 216.05436 147.3
[M-H]- 192.05786 141.1
[M+NH4]+ 211.09896 154.3
[M+K]+ 232.02830 145.0
[M+H-H2O]+ 176.06240 128.6
[M+HCOO]- 238.06334 160.3
[M+CH3COO]- 252.07899 150.9
[M+Na-2H]- 214.03981 143.6
[M]+ 193.06459 136.6
[M]- 193.06569 136.6
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.