CID 2776100

183162-43-8

Structural Information

Molecular Formula
C12H6F20O2
SMILES
C(C(C(C(C(C(C(C(C(C(C(CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C12H6F20O2/c13-3(14,1-33)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2-34/h33-34H,1-2H2
InChIKey
MBKZIVRAOJBYDI-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecane-1,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

562.0048 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.01208 171.9
[M+Na]+ 584.99402 174.6
[M-H]- 560.99752 179.9
[M+NH4]+ 580.03862 179.5
[M+K]+ 600.96796 185.7
[M+H-H2O]+ 545.00206 158.0
[M+HCOO]- 607.00300 189.5
[M+CH3COO]- 621.01865 243.6
[M+Na-2H]- 582.97947 170.9
[M]+ 562.00425 169.8
[M]- 562.00535 169.8
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