CID 71757653

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

Structural Information

Molecular Formula
C9H8FN3O2
SMILES
C1=CC(=CC=C1OCC2=NC(=NO2)N)F
InChI
InChI=1S/C9H8FN3O2/c10-6-1-3-7(4-2-6)14-5-8-12-9(11)13-15-8/h1-4H,5H2,(H2,11,13)
InChIKey
CBBITLGIMSSWQX-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06006 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.067336 140.2
[M+Na]+ 232.049278 149.9
[M-H]- 208.052784 143.9
[M+NH4]+ 227.093883 156.3
[M+K]+ 248.023218 148.1
[M+H-H2O]+ 192.057320 131.1
[M+HCOO]- 254.058261 163.3
[M+CH3COO]- 268.073911 185.5
[M+Na-2H]- 230.034726 146.4
[M]+ 209.05951142 140.8
[M]- 209.06060858 140.8
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.