CID 139595183

Hopas n=3 m=20

Structural Information

Molecular Formula
C46H81F13O20
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C46H81F13O20/c47-41(48,42(49,50)43(51,52)44(53,54)45(55,56)46(57,58)59)1-3-61-5-7-63-9-11-65-13-15-67-17-19-69-21-23-71-25-27-73-29-31-75-33-35-77-37-39-79-40-38-78-36-34-76-32-30-74-28-26-72-24-22-70-20-18-68-16-14-66-12-10-64-8-6-62-4-2-60/h60H,1-40H2
InChIKey
GZSNLUNXSIWLRQ-UHFFFAOYSA-N
Compound name
2-[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]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1200.5114 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1201.5187 334.7
[M+Na]+ 1223.5006 325.4
[M-H]- 1199.5041 333.7
[M+NH4]+ 1218.5452 350.4
[M+K]+ 1239.4746 341.0
[M+H-H2O]+ 1183.5087 324.0
[M+HCOO]- 1245.5096 337.4
[M+CH3COO]- 1259.5253 328.2
[M+Na-2H]- 1221.4861 310.4
[M]+ 1200.5109 347.5
[M]- 1200.5119 347.5
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.