CID 534000

83192-87-4

Structural Information

Molecular Formula
C8H10F8O2
SMILES
C(CO)C(C(C(C(CCO)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H10F8O2/c9-5(10,1-3-17)7(13,14)8(15,16)6(11,12)2-4-18/h17-18H,1-4H2
InChIKey
KZGBZVBYSNUWHN-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6-octafluorooctane-1,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

290.0553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06258 154.9
[M+Na]+ 313.04452 162.3
[M-H]- 289.04802 142.6
[M+NH4]+ 308.08912 168.6
[M+K]+ 329.01846 159.2
[M+H-H2O]+ 273.05256 145.1
[M+HCOO]- 335.05350 160.7
[M+CH3COO]- 349.06915 197.0
[M+Na-2H]- 311.02997 158.7
[M]+ 290.05475 142.8
[M]- 290.05585 142.8
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