CID 17763152

Schembl8615905

Structural Information

Molecular Formula
C11H3F21O2
SMILES
C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(O)O
InChI
InChI=1S/C11H3F21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h1,33-34H
InChIKey
XLRTYAMUIGRELS-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

565.9798 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.98708 172.8
[M+Na]+ 588.96902 175.9
[M-H]- 564.97252 182.1
[M+NH4]+ 584.01362 181.5
[M+K]+ 604.94296 187.2
[M+H-H2O]+ 548.97706 159.7
[M+HCOO]- 610.97800 188.6
[M+CH3COO]- 624.99365 243.5
[M+Na-2H]- 586.95447 172.6
[M]+ 565.97925 170.0
[M]- 565.98035 170.0
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

patents stripe