CID 246793

2,5-bis(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C6F10N2O
SMILES
C1(=NN=C(O1)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F
InChI
InChI=1S/C6F10N2O/c7-3(8,5(11,12)13)1-17-18-2(19-1)4(9,10)6(14,15)16
InChIKey
VQOIQMXVVLTDAI-UHFFFAOYSA-N
Compound name
2,5-bis(1,1,2,2,2-pentafluoroethyl)-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

305.9851 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.99238 150.7
[M+Na]+ 328.97432 162.1
[M-H]- 304.97782 141.2
[M+NH4]+ 324.01892 163.1
[M+K]+ 344.94826 160.1
[M+H-H2O]+ 288.98236 137.6
[M+HCOO]- 350.98330 156.5
[M+CH3COO]- 364.99895 200.7
[M+Na-2H]- 326.95977 155.9
[M]+ 305.98455 138.0
[M]- 305.98565 138.0
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