CID 4178681

1,1,2,2,3,3,4,4-octafluoro-1-[(trifluoroethenyl)oxy]-4-(trifluoromethoxy)butane

Structural Information

Molecular Formula
C7F14O2
SMILES
C(=C(F)F)(OC(C(C(C(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChI
InChI=1S/C7F14O2/c8-1(9)2(10)22-5(15,16)3(11,12)4(13,14)6(17,18)23-7(19,20)21
InChIKey
JFSRSSKOKVQKAT-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)-4-(trifluoromethoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

381.96747 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.97475 165.6
[M+Na]+ 404.95669 175.0
[M-H]- 380.96019 150.5
[M+NH4]+ 400.00129 155.0
[M+K]+ 420.93063 172.4
[M+H-H2O]+ 364.96473 151.4
[M+HCOO]- 426.96567 163.9
[M+CH3COO]- 440.98132 216.6
[M+Na-2H]- 402.94214 166.2
[M]+ 381.96692 145.4
[M]- 381.96802 145.4
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