CID 89555696

Dtxsid50896394

Structural Information

Molecular Formula
C10H4F7NO2
SMILES
C1=CC2=C(C=C1C(C(F)(F)F)(C(F)(F)F)F)OC(=O)N2
InChI
InChI=1S/C10H4F7NO2/c11-8(9(12,13)14,10(15,16)17)4-1-2-5-6(3-4)20-7(19)18-5/h1-3H,(H,18,19)
InChIKey
PWZKIFNXOSTNPU-UHFFFAOYSA-N
Compound name
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

303.01303 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02031 154.7
[M+Na]+ 326.00225 167.4
[M-H]- 302.00575 149.9
[M+NH4]+ 321.04685 169.6
[M+K]+ 341.97619 163.3
[M+H-H2O]+ 286.01029 144.4
[M+HCOO]- 348.01123 165.5
[M+CH3COO]- 362.02688 197.0
[M+Na-2H]- 323.98770 161.6
[M]+ 303.01248 147.9
[M]- 303.01358 147.9
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