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

233
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 171.8
[M+Na]+ 404.99307 181.2
[M-H]- 380.99657 156.9
[M+NH4]+ 400.03767 154.5
[M+K]+ 420.96701 178.2
[M+H-H2O]+ 365.00111 157.7
[M+HCOO]- 427.00205 169.8
[M+CH3COO]- 441.01770 217.9
[M+Na-2H]- 402.97852 174.6
[M]+ 382.00330 151.6
[M]- 382.00440 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