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

68
Patents

226.02286 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.030136 128.5
[M+Na]+ 249.012078 138.6
[M-H]- 225.015584 125.4
[M+NH4]+ 244.056683 140.5
[M+K]+ 264.986018 137.1
[M+H-H2O]+ 209.020120 117.7
[M+HCOO]- 271.021061 140.1
[M+CH3COO]- 285.036711 190.7
[M+Na-2H]- 246.997526 135.9
[M]+ 226.02231142 122.3
[M]- 226.02340858 122.3
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