CID 2775019

2711-81-1

Structural Information

Molecular Formula
C5H6F6O
SMILES
CC(C(C(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C5H6F6O/c1-2(12)4(7,8)3(6)5(9,10)11/h2-3,12H,1H3
InChIKey
BBNMWXDGNGRANP-UHFFFAOYSA-N
Compound name
3,3,4,5,5,5-hexafluoropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

196.03229 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03957 132.0
[M+Na]+ 219.02151 139.9
[M-H]- 195.02501 123.7
[M+NH4]+ 214.06611 150.4
[M+K]+ 234.99545 138.8
[M+H-H2O]+ 179.02955 123.6
[M+HCOO]- 241.03049 143.4
[M+CH3COO]- 255.04614 182.5
[M+Na-2H]- 217.00696 134.6
[M]+ 196.03174 122.1
[M]- 196.03284 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe