CID 2778166

1h,1h,11h,11h-perfluoro-3,6,9-trioxaundecane-1,11-diol

Structural Information

Molecular Formula
C8H6F12O5
SMILES
C(C(OC(C(OC(C(OC(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H6F12O5/c9-3(10,1-21)23-5(13,14)7(17,18)25-8(19,20)6(15,16)24-4(11,12)2-22/h21-22H,1-2H2
InChIKey
BFMDZOWJRVLYPB-UHFFFAOYSA-N
Compound name
2-[2-[2-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

435
Patents

410.00235 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.00963 147.0
[M+Na]+ 432.99157 150.5
[M-H]- 408.99507 150.8
[M+NH4]+ 428.03617 151.8
[M+K]+ 448.96551 153.4
[M+H-H2O]+ 392.99961 161.1
[M+HCOO]- 455.00055 166.2
[M+CH3COO]- 469.01620 215.9
[M+Na-2H]- 430.97702 178.7
[M]+ 410.00180 145.5
[M]- 410.00290 145.5
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