CID 138584

2-perfluoropropyl-5-phenyl-1,3,4-oxadiazole

Structural Information

Molecular Formula
C11H5F7N2O
SMILES
C1=CC=C(C=C1)C2=NN=C(O2)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F7N2O/c12-9(13,10(14,15)11(16,17)18)8-20-19-7(21-8)6-4-2-1-3-5-6/h1-5H
InChIKey
ITYOBZDILJDFMZ-UHFFFAOYSA-N
Compound name
2-(1,1,2,2,3,3,3-heptafluoropropyl)-5-phenyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.02902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.03630 159.2
[M+Na]+ 337.01824 169.6
[M-H]- 313.02174 155.8
[M+NH4]+ 332.06284 171.2
[M+K]+ 352.99218 166.1
[M+H-H2O]+ 297.02628 146.3
[M+HCOO]- 359.02722 169.5
[M+CH3COO]- 373.04287 201.9
[M+Na-2H]- 335.00369 164.7
[M]+ 314.02847 151.2
[M]- 314.02957 151.2
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.