CID 165360433

Dtxsid401338715

Structural Information

Molecular Formula
C9F18O
SMILES
C1(C(O1)(C(C(F)(F)F)(C(F)(F)F)F)F)(C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)F
InChI
InChI=1S/C9F18O/c10-1(5(13,14)15,6(16,17)18)3(9(25,26)27)4(12,28-3)2(11,7(19,20)21)8(22,23)24
InChIKey
VAVDAKXAYJCHRZ-UHFFFAOYSA-N
Compound name
2-fluoro-2,3-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(trifluoromethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

465.9662 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.973476 165.5
[M+Na]+ 488.955418 177.0
[M-H]- 464.958924 153.0
[M+NH4]+ 484.000023 171.2
[M+K]+ 504.929358 175.0
[M+H-H2O]+ 448.963460 151.1
[M+HCOO]- 510.964401 159.7
[M+CH3COO]- 524.980051 230.1
[M+Na-2H]- 486.940866 171.7
[M]+ 465.96565142 143.3
[M]- 465.96674858 143.3
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