CID 101651

335-35-3

Structural Information

Molecular Formula
C8F16O
SMILES
C1(C(C(OC(C1(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F)(F)F)(F)F
InChI
InChI=1S/C8F16O/c9-1(10)2(11,12)6(19,25-8(23,24)5(1,17)18)3(13,14)4(15,16)7(20,21)22
InChIKey
KEDSBJOHAWJRQU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6-nonafluoro-6-(1,1,2,2,3,3,3-heptafluoropropyl)oxane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

126
Patents

415.96936 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.97664 165.6
[M+Na]+ 438.95858 180.6
[M-H]- 414.96208 154.2
[M+NH4]+ 434.00318 183.3
[M+K]+ 454.93252 178.3
[M+H-H2O]+ 398.96662 154.5
[M+HCOO]- 460.96756 164.7
[M+CH3COO]- 474.98321 222.2
[M+Na-2H]- 436.94403 170.0
[M]+ 415.96881 144.5
[M]- 415.96991 144.5
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