CID 13291237

4,4,5,5,6,6,7,7,7-nonafluorohept-2-yn-1-ol

Structural Information

Molecular Formula
C7H3F9O
SMILES
C(C#CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C7H3F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h17H,3H2
InChIKey
PGVKLEHFIFBSQI-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluorohept-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.00403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.01131 142.1
[M+Na]+ 296.99325 151.3
[M-H]- 272.99675 130.6
[M+NH4]+ 292.03785 155.1
[M+K]+ 312.96719 149.2
[M+H-H2O]+ 257.00129 126.4
[M+HCOO]- 319.00223 145.0
[M+CH3COO]- 333.01788 200.9
[M+Na-2H]- 294.97870 145.4
[M]+ 274.00348 123.9
[M]- 274.00458 123.9
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.