CID 23026186

135548-22-0

Structural Information

Molecular Formula
C9H11F9O3
SMILES
C(COCC(CO)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H11F9O3/c10-6(11,1-2-21-4-5(20)3-19)7(12,13)8(14,15)9(16,17)18/h5,19-20H,1-4H2
InChIKey
UUPQLJUUKYLIEW-UHFFFAOYSA-N
Compound name
3-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

338.05646 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.063736 164.3
[M+Na]+ 361.045678 171.1
[M-H]- 337.049184 150.7
[M+NH4]+ 356.090283 175.9
[M+K]+ 377.019618 168.5
[M+H-H2O]+ 321.053720 153.4
[M+HCOO]- 383.054661 168.1
[M+CH3COO]- 397.070311 204.8
[M+Na-2H]- 359.031126 166.2
[M]+ 338.05591142 151.9
[M]- 338.05700858 151.9
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.