CID 2776406

94159-84-9

Structural Information

Molecular Formula
C11H7F17O2
SMILES
C(C(CO)O)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
InChI
InChI=1S/C11H7F17O2/c12-4(13,1-3(30)2-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29-30H,1-2H2
InChIKey
CGRIOEGIXRPCJU-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

217
Patents

494.01746 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.02474 162.7
[M+Na]+ 517.00668 162.8
[M+NH4]+ 512.05128 162.5
[M+K]+ 532.98062 163.0
[M-H]- 493.01018 161.3
[M+Na-2H]- 514.99213 162.9
[M]+ 494.01691 162.3
[M]- 494.01801 162.3
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