CID 13291236

6,6,7,7,8,8,9,9,9-nonafluoro-3-methylnon-4-yn-3-ol

Structural Information

Molecular Formula
C10H9F9O
SMILES
CCC(C)(C#CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C10H9F9O/c1-3-6(2,20)4-5-7(11,12)8(13,14)9(15,16)10(17,18)19/h20H,3H2,1-2H3
InChIKey
DJEKHYMIDUQGNM-UHFFFAOYSA-N
Compound name
6,6,7,7,8,8,9,9,9-nonafluoro-3-methylnon-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.05096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05824 156.3
[M+Na]+ 339.04018 164.6
[M-H]- 315.04368 144.9
[M+NH4]+ 334.08478 167.9
[M+K]+ 355.01412 162.6
[M+H-H2O]+ 299.04822 140.8
[M+HCOO]- 361.04916 157.1
[M+CH3COO]- 375.06481 209.3
[M+Na-2H]- 337.02563 159.1
[M]+ 316.05041 138.4
[M]- 316.05151 138.4
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.