CID 101027898

269394-08-3

Structural Information

Molecular Formula
C9H11F9O
SMILES
CC(C)(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C9H11F9O/c1-5(2,19)3-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h19H,3-4H2,1-2H3
InChIKey
RQVWCCCEFXMBKB-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,8-nonafluoro-2-methyloctan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.06662 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07390 189.2
[M+Na]+ 329.05584 189.7
[M+NH4]+ 324.10044 188.5
[M+K]+ 345.02978 187.1
[M-H]- 305.05934 180.7
[M+Na-2H]- 327.04129 185.7
[M]+ 306.06607 186.6
[M]- 306.06717 186.6
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.