CID 4200740

74328-57-7

Structural Information

Molecular Formula
C6H5F7O
SMILES
C1C(O1)CC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6H5F7O/c7-4(5(8,9)10,6(11,12)13)1-3-2-14-3/h3H,1-2H2
InChIKey
ZCSHSWXXDMBWOP-UHFFFAOYSA-N
Compound name
2-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

63
Patents

226.02286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03014 128.5
[M+Na]+ 249.01208 138.6
[M-H]- 225.01558 125.4
[M+NH4]+ 244.05668 140.5
[M+K]+ 264.98602 137.1
[M+H-H2O]+ 209.02012 117.7
[M+HCOO]- 271.02106 140.1
[M+CH3COO]- 285.03671 190.7
[M+Na-2H]- 246.99753 135.9
[M]+ 226.02231 122.3
[M]- 226.02341 122.4
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