CID 139594365

Hopas n=3 m=19

Structural Information

Molecular Formula
C44H77F13O19
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C44H77F13O19/c45-39(46,40(47,48)41(49,50)42(51,52)43(53,54)44(55,56)57)1-3-59-5-7-61-9-11-63-13-15-65-17-19-67-21-23-69-25-27-71-29-31-73-33-35-75-37-38-76-36-34-74-32-30-72-28-26-70-24-22-68-20-18-66-16-14-64-12-10-62-8-6-60-4-2-58/h58H,1-38H2
InChIKey
BLNODCPZFKZPNU-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1156.4851 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1157.4924 323.2
[M+Na]+ 1179.4743 314.6
[M-H]- 1155.4778 322.4
[M+NH4]+ 1174.5189 338.3
[M+K]+ 1195.4483 329.8
[M+H-H2O]+ 1139.4824 312.6
[M+HCOO]- 1201.4833 327.0
[M+CH3COO]- 1215.4990 323.8
[M+Na-2H]- 1177.4598 300.1
[M]+ 1156.4846 334.2
[M]- 1156.4856 334.2
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.