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]+ 150.047346 124.1
[M+Na]+ 172.029288 134.1
[M-H]- 148.032794 123.4
[M+NH4]+ 167.073893 142.9
[M+K]+ 188.003228 134.0
[M+H-H2O]+ 132.037330 116.2
[M+HCOO]- 194.038271 144.4
[M+CH3COO]- 208.053921 174.7
[M+Na-2H]- 170.014736 131.5
[M]+ 149.03952142 121.7
[M]- 149.04061858 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.