CID 139596856

Hopas n=7 m=9

Structural Information

Molecular Formula
C32H37F29O9
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCO)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/C32H37F29O9/c33-19(34,1-3-63-5-7-65-9-11-67-13-15-69-17-18-70-16-14-68-12-10-66-8-6-64-4-2-62)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)25(45,46)26(47,48)27(49,50)28(51,52)29(53,54)30(55,56)31(57,58)32(59,60)61/h62H,1-18H2
InChIKey
QXMOBQYRAVVFBK-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1116.1975 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1117.2048 261.6
[M+Na]+ 1139.1867 259.0
[M-H]- 1115.1902 272.1
[M+NH4]+ 1134.2313 275.4
[M+K]+ 1155.1607 278.0
[M+H-H2O]+ 1099.1948 246.5
[M+HCOO]- 1161.1957 271.9
[M+CH3COO]- 1175.2114 298.1
[M+Na-2H]- 1137.1722 256.2
[M]+ 1116.1970 263.1
[M]- 1116.1980 263.1
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.