CID 83808692

3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C8H5F2N3O
SMILES
C1=CC(=C(C(=C1)F)C2=NOC(=N2)N)F
InChI
InChI=1S/C8H5F2N3O/c9-4-2-1-3-5(10)6(4)7-12-8(11)14-13-7/h1-3H,(H2,11,12,13)
InChIKey
NTYPFXODRZUBMB-UHFFFAOYSA-N
Compound name
3-(2,6-difluorophenyl)-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.04007 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.04735 135.6
[M+Na]+ 220.02929 147.0
[M-H]- 196.03279 138.5
[M+NH4]+ 215.07389 152.6
[M+K]+ 236.00323 144.4
[M+H-H2O]+ 180.03733 126.3
[M+HCOO]- 242.03827 157.8
[M+CH3COO]- 256.05392 149.4
[M+Na-2H]- 218.01474 141.1
[M]+ 197.03952 133.8
[M]- 197.04062 133.8
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

patents stripe