CID 2774857

261503-44-0

Structural Information

Molecular Formula
C8HF13
SMILES
C#CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8HF13/c1-2-3(6(13,14)15,7(16,17)18)4(9,10)5(11,12)8(19,20)21/h1H
InChIKey
UEYXJPFQJDFMGD-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,6-heptafluoro-3,3-bis(trifluoromethyl)hex-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.98706 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99434 176.6
[M+Na]+ 366.97628 177.5
[M+NH4]+ 362.02088 175.6
[M+K]+ 382.95022 175.2
[M-H]- 342.97978 171.1
[M+Na-2H]- 364.96173 174.8
[M]+ 343.98651 175.0
[M]- 343.98761 175.0
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

No patent data available for this compound.