CID 138396356

Dtxsid20895935

Structural Information

Molecular Formula
C17H21F15O6
SMILES
C(COCCOCCOCCOCCOC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C17H21F15O6/c18-11(19,12(20,21)14(24,25)16(28,29)30)13(22,23)15(26,27)17(31,32)38-10-9-37-8-7-36-6-5-35-4-3-34-2-1-33/h33H,1-10H2
InChIKey
KZKAFTRHTVZIGR-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

606.10986 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.11714 187.1
[M+Na]+ 629.09908 189.0
[M-H]- 605.10258 190.7
[M+NH4]+ 624.14368 195.5
[M+K]+ 645.07302 197.3
[M+H-H2O]+ 589.10712 176.8
[M+HCOO]- 651.10806 204.1
[M+CH3COO]- 665.12371 250.9
[M+Na-2H]- 627.08453 181.0
[M]+ 606.10931 185.3
[M]- 606.11041 185.3
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

No patent data available for this compound.