CID 14716148

126814-93-5

Structural Information

Molecular Formula
C11H11F13O3
SMILES
C(COCC(CO)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H11F13O3/c12-6(13,1-2-27-4-5(26)3-25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,25-26H,1-4H2
InChIKey
XYEQEZYFDSQCMY-UHFFFAOYSA-N
Compound name
3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

438.05005 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.05733 159.7
[M+Na]+ 461.03927 164.0
[M-H]- 437.04277 162.7
[M+NH4]+ 456.08387 164.5
[M+K]+ 477.01321 168.9
[M+H-H2O]+ 421.04731 170.9
[M+HCOO]- 483.04825 175.3
[M+CH3COO]- 497.06390 223.1
[M+Na-2H]- 459.02472 185.5
[M]+ 438.04950 156.8
[M]- 438.05060 156.8
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