CID 86206067

3-(1h,1h-heptafluorobutoxy)propane-1,2-diol

Structural Information

Molecular Formula
C7H9F7O3
SMILES
C(C(COCC(C(C(F)(F)F)(F)F)(F)F)O)O
InChI
InChI=1S/C7H9F7O3/c8-5(9,3-17-2-4(16)1-15)6(10,11)7(12,13)14/h4,15-16H,1-3H2
InChIKey
PYNBSVWCXUUDTG-UHFFFAOYSA-N
Compound name
3-(2,2,3,3,4,4,4-heptafluorobutoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

274.044 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05128 150.1
[M+Na]+ 297.03322 157.3
[M-H]- 273.03672 138.9
[M+NH4]+ 292.07782 164.5
[M+K]+ 313.00716 155.3
[M+H-H2O]+ 257.04126 140.7
[M+HCOO]- 319.04220 158.1
[M+CH3COO]- 333.05785 192.4
[M+Na-2H]- 295.01867 153.0
[M]+ 274.04345 140.5
[M]- 274.04455 140.5
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.