CID 8027107

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

Structural Information

Molecular Formula
C8H6FN3O
SMILES
C1=CC(=CC=C1C2=NON=C2N)F
InChI
InChI=1S/C8H6FN3O/c9-6-3-1-5(2-4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKey
ZCPNLNCQHQETKZ-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.04948 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.056756 132.7
[M+Na]+ 202.038698 143.1
[M-H]- 178.042204 136.6
[M+NH4]+ 197.083303 150.2
[M+K]+ 218.012638 141.0
[M+H-H2O]+ 162.046740 124.1
[M+HCOO]- 224.047681 156.0
[M+CH3COO]- 238.063331 146.7
[M+Na-2H]- 200.024146 139.5
[M]+ 179.04893142 131.6
[M]- 179.05002858 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

literature stripe

Patent stripe

patents stripe