CID 2776077

(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)oxirane

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
3
Annotation Hits

0
References

207
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 182.5
[M+Na]+ 598.98972 189.8
[M-H]- 574.99322 190.2
[M+NH4]+ 594.03432 193.5
[M+K]+ 614.96366 199.0
[M+H-H2O]+ 558.99776 173.6
[M+HCOO]- 620.99870 206.4
[M+CH3COO]- 635.01435 249.1
[M+Na-2H]- 596.97517 184.1
[M]+ 575.99995 187.1
[M]- 576.00105 187.1
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