CID 15507707

2,2'-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctane-1,8-diyl)bis(oxirane)

Structural Information

Molecular Formula
C12H10F12O2
SMILES
C1C(O1)CC(C(C(C(C(C(CC2CO2)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C12H10F12O2/c13-7(14,1-5-3-25-5)9(17,18)11(21,22)12(23,24)10(19,20)8(15,16)2-6-4-26-6/h5-6H,1-4H2
InChIKey
BUCVATDLDBZNPM-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8-(oxiran-2-yl)octyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

414.04892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.05620 151.2
[M+Na]+ 437.03814 157.2
[M-H]- 413.04164 146.4
[M+NH4]+ 432.08274 149.3
[M+K]+ 453.01208 156.3
[M+H-H2O]+ 397.04618 137.1
[M+HCOO]- 459.04712 150.7
[M+CH3COO]- 473.06277 228.7
[M+Na-2H]- 435.02359 156.8
[M]+ 414.04837 142.2
[M]- 414.04947 142.2
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

patents stripe