CID 49651982

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

Structural Information

Molecular Formula
C8H6FN3O
SMILES
C1=CC(=CC=C1C2=NOC(=N2)N)F
InChI
InChI=1S/C8H6FN3O/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChIKey
IKTCXNQNMSEVOU-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.04948 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.05676 132.7
[M+Na]+ 202.03870 143.1
[M-H]- 178.04220 136.6
[M+NH4]+ 197.08330 150.2
[M+K]+ 218.01264 141.0
[M+H-H2O]+ 162.04674 124.1
[M+HCOO]- 224.04768 156.0
[M+CH3COO]- 238.06333 146.7
[M+Na-2H]- 200.02415 139.5
[M]+ 179.04893 131.6
[M]- 179.05003 131.6
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

patents stripe