CID 14716147

Schembl5351265

Structural Information

Molecular Formula
C11H9F15O3
SMILES
C(C(COCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)O
InChI
InChI=1S/C11H9F15O3/c12-5(13,3-29-2-4(28)1-27)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h4,27-28H,1-3H2
InChIKey
NSFNNBQPNCVWFZ-UHFFFAOYSA-N
Compound name
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

474.03122 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.03850 162.2
[M+Na]+ 497.02044 166.2
[M-H]- 473.02394 167.3
[M+NH4]+ 492.06504 168.4
[M+K]+ 512.99438 172.9
[M+H-H2O]+ 457.02848 151.8
[M+HCOO]- 519.02942 178.1
[M+CH3COO]- 533.04507 229.1
[M+Na-2H]- 495.00589 159.5
[M]+ 474.03067 159.3
[M]- 474.03177 159.3
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