CID 11971371

94333-56-9

Structural Information

Molecular Formula
C11H4F16O2
SMILES
C1COC(C(=C(C(F)(F)F)C(F)(F)F)C(O1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C11H4F16O2/c12-6(11(25,26)27)3(4(7(13,14)15)8(16,17)18)5(9(19,20)21,10(22,23)24)28-1-2-29-6/h1-2H2
InChIKey
GSGMLVXKSLFVQP-UHFFFAOYSA-N
Compound name
5-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-5,7,7-tris(trifluoromethyl)-1,4-dioxepane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

471.99557 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.00285 158.2
[M+Na]+ 494.98479 167.1
[M-H]- 470.98829 147.8
[M+NH4]+ 490.02939 166.7
[M+K]+ 510.95873 169.6
[M+H-H2O]+ 454.99283 145.6
[M+HCOO]- 516.99377 153.8
[M+CH3COO]- 531.00942 227.6
[M+Na-2H]- 492.97024 162.8
[M]+ 471.99502 133.2
[M]- 471.99612 133.2
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.