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
2
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 158.7
[M+Na]+ 329.05584 166.7
[M-H]- 305.05934 147.1
[M+NH4]+ 324.10044 172.5
[M+K]+ 345.02978 164.0
[M+H-H2O]+ 289.06388 148.4
[M+HCOO]- 351.06482 162.9
[M+CH3COO]- 365.08047 203.6
[M+Na-2H]- 327.04129 162.8
[M]+ 306.06607 145.2
[M]- 306.06717 145.2
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.