CID 22646028

647-91-6

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
2
Annotation Hits

0
References

264
Patents

382.00385 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.011126 171.8
[M+Na]+ 404.993068 181.2
[M-H]- 380.996574 156.9
[M+NH4]+ 400.037673 154.5
[M+K]+ 420.967008 178.2
[M+H-H2O]+ 365.001110 157.7
[M+HCOO]- 427.002051 169.8
[M+CH3COO]- 441.017701 217.9
[M+Na-2H]- 402.978516 174.6
[M]+ 382.00330142 151.6
[M]- 382.00439858 151.6
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