CID 139594821

Hopas n=5 m=19

Structural Information

Molecular Formula
C48H77F21O19
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C48H77F21O19/c49-39(50,40(51,52)41(53,54)42(55,56)43(57,58)44(59,60)45(61,62)46(63,64)47(65,66)48(67,68)69)1-3-71-5-7-73-9-11-75-13-15-77-17-19-79-21-23-81-25-27-83-29-31-85-33-35-87-37-38-88-36-34-86-32-30-84-28-26-82-24-22-80-20-18-78-16-14-76-12-10-74-8-6-72-4-2-70/h70H,1-38H2
InChIKey
DVMOJWUXGMUXRI-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)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

1356.4724 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1357.4797 334.0
[M+Na]+ 1379.4616 325.2
[M-H]- 1355.4651 339.2
[M+NH4]+ 1374.5062 351.6
[M+K]+ 1395.4356 346.1
[M+H-H2O]+ 1339.4697 319.4
[M+HCOO]- 1401.4706 336.9
[M+CH3COO]- 1415.4863 331.4
[M+Na-2H]- 1377.4471 314.9
[M]+ 1356.4719 348.3
[M]- 1356.4729 348.3
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.