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]+ 210.06734 140.2
[M+Na]+ 232.04928 149.9
[M-H]- 208.05278 143.9
[M+NH4]+ 227.09388 156.3
[M+K]+ 248.02322 148.1
[M+H-H2O]+ 192.05732 131.1
[M+HCOO]- 254.05826 163.3
[M+CH3COO]- 268.07391 185.5
[M+Na-2H]- 230.03473 146.4
[M]+ 209.05951 140.8
[M]- 209.06061 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.