CID 22646028

Bis(1h,1h-heptafluorobutyl)ether

Structural Information

Molecular Formula
C8H4F14O
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)OCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H4F14O/c9-3(10,5(13,14)7(17,18)19)1-23-2-4(11,12)6(15,16)8(20,21)22/h1-2H2
InChIKey
YLOUSLWKRLJSPV-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

382.00385 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.01113 173.6
[M+Na]+ 404.99307 173.7
[M+NH4]+ 400.03767 173.0
[M+K]+ 420.96701 172.8
[M-H]- 380.99657 170.1
[M+Na-2H]- 402.97852 172.5
[M]+ 382.00330 172.5
[M]- 382.00440 172.5
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