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]+ 1117.204776 261.6
[M+Na]+ 1139.186718 259.0
[M-H]- 1115.190224 272.1
[M+NH4]+ 1134.231323 275.4
[M+K]+ 1155.160658 278.0
[M+H-H2O]+ 1099.194760 246.5
[M+HCOO]- 1161.195701 271.9
[M+CH3COO]- 1175.211351 298.1
[M+Na-2H]- 1137.172166 256.2
[M]+ 1116.19695142 263.1
[M]- 1116.19804858 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.