CID 2776230

24564-77-0

Structural Information

Molecular Formula
C10H5F15O
SMILES
C1C(O1)CC(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H5F15O/c11-4(12,1-3-2-26-3)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3H,1-2H2
InChIKey
NSHDLZDDSBGOKN-UHFFFAOYSA-N
Compound name
2-[2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

426.0101 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.01738 160.1
[M+Na]+ 448.99932 169.3
[M-H]- 425.00282 149.0
[M+NH4]+ 444.04392 163.8
[M+K]+ 464.97326 166.1
[M+H-H2O]+ 409.00736 144.3
[M+HCOO]- 471.00830 157.1
[M+CH3COO]- 485.02395 226.4
[M+Na-2H]- 446.98477 165.5
[M]+ 426.00955 141.3
[M]- 426.01065 141.3
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