CID 78976

Perfluoro-2-butyltetrahydrofuran

Structural Information

Molecular Formula
C8F16O
SMILES
C1(C(C(OC1(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8F16O/c9-1(10,4(15,16)7(20,21)22)2(11,12)6(19)3(13,14)5(17,18)8(23,24)25-6
InChIKey
FYJQJMIEZVMYSD-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

42
References

8355
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 164.9
[M+Na]+ 438.95858 179.1
[M-H]- 414.96208 153.2
[M+NH4]+ 434.00318 182.3
[M+K]+ 454.93252 176.5
[M+H-H2O]+ 398.96662 154.4
[M+HCOO]- 460.96756 164.6
[M+CH3COO]- 474.98321 221.3
[M+Na-2H]- 436.94403 169.5
[M]+ 415.96881 143.8
[M]- 415.96991 143.8
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