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]+ 194.072416 137.4
[M+Na]+ 216.054358 147.3
[M-H]- 192.057864 141.1
[M+NH4]+ 211.098963 154.3
[M+K]+ 232.028298 145.0
[M+H-H2O]+ 176.062400 128.6
[M+HCOO]- 238.063341 160.3
[M+CH3COO]- 252.078991 150.9
[M+Na-2H]- 214.039806 143.6
[M]+ 193.06459142 136.6
[M]- 193.06568858 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.