CID 130986315

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

Structural Information

Molecular Formula
C4H5F2N3O
SMILES
CC(C1=NN=C(O1)N)(F)F
InChI
InChI=1S/C4H5F2N3O/c1-4(5,6)2-8-9-3(7)10-2/h1H3,(H2,7,9)
InChIKey
NKCPFYLSPCDKCP-UHFFFAOYSA-N
Compound name
5-(1,1-difluoroethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.04007 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.04735 124.1
[M+Na]+ 172.02929 134.1
[M-H]- 148.03279 123.4
[M+NH4]+ 167.07389 142.9
[M+K]+ 188.00323 134.0
[M+H-H2O]+ 132.03733 116.2
[M+HCOO]- 194.03827 144.4
[M+CH3COO]- 208.05392 174.7
[M+Na-2H]- 170.01474 131.5
[M]+ 149.03952 121.7
[M]- 149.04062 121.7
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.