CID 85635843

2-{[(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)oxy]methyl}oxirane

Structural Information

Molecular Formula
C9H7F11O2
SMILES
C1C(O1)COCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F11O2/c10-5(11,3-21-1-4-2-22-4)6(12,13)7(14,15)8(16,17)9(18,19)20/h4H,1-3H2
InChIKey
KMIGYHDUVWFLSB-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

356.02704 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03432 151.1
[M+Na]+ 379.01626 160.3
[M-H]- 355.01976 143.2
[M+NH4]+ 374.06086 157.5
[M+K]+ 394.99020 157.8
[M+H-H2O]+ 339.02430 137.3
[M+HCOO]- 401.02524 154.8
[M+CH3COO]- 415.04089 214.1
[M+Na-2H]- 377.00171 157.1
[M]+ 356.02649 140.4
[M]- 356.02759 140.4
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