CID 2776337

1h-perfluorooct-1-yne

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

343.98706 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99434 153.5
[M+Na]+ 366.97628 162.6
[M-H]- 342.97978 139.8
[M+NH4]+ 362.02088 163.7
[M+K]+ 382.95022 160.9
[M+H-H2O]+ 326.98432 135.6
[M+HCOO]- 388.98526 151.1
[M+CH3COO]- 403.00091 217.2
[M+Na-2H]- 364.96173 156.1
[M]+ 343.98651 129.6
[M]- 343.98761 129.6
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

No patent data available for this compound.