CID 139596421

Hopas n=7 m=7

Structural Information

Molecular Formula
C28H29F29O7
SMILES
C(COCCOCCOCCOCCOCCOCCO)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/C28H29F29O7/c29-15(30,1-3-59-5-7-61-9-11-63-13-14-64-12-10-62-8-6-60-4-2-58)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)21(41,42)22(43,44)23(45,46)24(47,48)25(49,50)26(51,52)27(53,54)28(55,56)57/h58H,1-14H2
InChIKey
OKPYXGVIHNSECZ-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1028.145 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1029.1523 246.2
[M+Na]+ 1051.1342 244.8
[M-H]- 1027.1377 256.9
[M+NH4]+ 1046.1788 259.3
[M+K]+ 1067.1082 263.0
[M+H-H2O]+ 1011.1423 231.4
[M+HCOO]- 1073.1432 258.1
[M+CH3COO]- 1087.1589 290.9
[M+Na-2H]- 1049.1197 242.7
[M]+ 1028.1445 246.2
[M]- 1028.1455 246.2
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.