CID 63048941

5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C9H8FN3O
SMILES
CC1=C(C=C(C=C1)F)C2=NN=C(O2)N
InChI
InChI=1S/C9H8FN3O/c1-5-2-3-6(10)4-7(5)8-12-13-9(11)14-8/h2-4H,1H3,(H2,11,13)
InChIKey
FYADMHIGMTXZII-UHFFFAOYSA-N
Compound name
5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06514 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.072416 137.9
[M+Na]+ 216.054358 148.8
[M-H]- 192.057864 142.1
[M+NH4]+ 211.098963 155.2
[M+K]+ 232.028298 146.4
[M+H-H2O]+ 176.062400 129.4
[M+HCOO]- 238.063341 160.8
[M+CH3COO]- 252.078991 151.8
[M+Na-2H]- 214.039806 143.4
[M]+ 193.06459142 137.5
[M]- 193.06568858 137.5
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.