CID 2776077

38565-54-7

Structural Information

Molecular Formula
C13H5F21O
SMILES
C1C(O1)CC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C13H5F21O/c14-4(15,1-3-2-35-3)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h3H,1-2H2
InChIKey
KVLHRMQNRDJRKW-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

199
Patents

576.0005 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.00778 160.6
[M+Na]+ 598.98972 160.7
[M+NH4]+ 594.03432 160.7
[M+K]+ 614.96366 161.3
[M-H]- 574.99322 160.4
[M+Na-2H]- 596.97517 161.3
[M]+ 575.99995 160.6
[M]- 576.00105 160.6
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