CID 139596142

Hopas n=7 m=10

Structural Information

Molecular Formula
C34H41F29O10
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(C(C(C(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)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C34H41F29O10/c35-21(36,1-3-65-5-7-67-9-11-69-13-15-71-17-19-73-20-18-72-16-14-70-12-10-68-8-6-66-4-2-64)22(37,38)23(39,40)24(41,42)25(43,44)26(45,46)27(47,48)28(49,50)29(51,52)30(53,54)31(55,56)32(57,58)33(59,60)34(61,62)63/h64H,1-20H2
InChIKey
MUJWZOXWZZALDQ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1160.2236 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1161.2309 269.5
[M+Na]+ 1183.2128 266.4
[M-H]- 1159.2163 279.9
[M+NH4]+ 1178.2574 283.7
[M+K]+ 1199.1868 285.8
[M+H-H2O]+ 1143.2209 254.4
[M+HCOO]- 1205.2218 279.1
[M+CH3COO]- 1219.2375 301.6
[M+Na-2H]- 1181.1983 263.2
[M]+ 1160.2231 272.0
[M]- 1160.2241 272.0
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.