CID 101873326

2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)propane-1,3-diol

Structural Information

Molecular Formula
C9H11F9O2
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(CO)CO
InChI
InChI=1S/C9H11F9O2/c10-6(11,2-1-5(3-19)4-20)7(12,13)8(14,15)9(16,17)18/h5,19-20H,1-4H2
InChIKey
FTUOFEXYTAPMKP-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.06152 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06880 187.8
[M+Na]+ 345.05074 187.9
[M+NH4]+ 340.09534 186.7
[M+K]+ 361.02468 185.7
[M-H]- 321.05424 178.9
[M+Na-2H]- 343.03619 183.9
[M]+ 322.06097 184.9
[M]- 322.06207 184.9
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

No patent data available for this compound.