CID 571982

38565-53-6

Structural Information

Molecular Formula
C11H5F17O
SMILES
C1C(O1)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F17O/c12-4(13,1-3-2-29-3)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3H,1-2H2
InChIKey
HMXSIEIEXLGIET-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

666
Patents

476.0069 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.01418 160.6
[M+Na]+ 498.99612 160.3
[M+NH4]+ 494.04072 160.3
[M+K]+ 514.97006 161.0
[M-H]- 474.99962 159.4
[M+Na-2H]- 496.98157 160.9
[M]+ 476.00635 160.1
[M]- 476.00745 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe