CID 139594849

Hopas n=7 m=17

Structural Information

Molecular Formula
C48H69F29O17
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C48H69F29O17/c49-35(50,36(51,52)37(53,54)38(55,56)39(57,58)40(59,60)41(61,62)42(63,64)43(65,66)44(67,68)45(69,70)46(71,72)47(73,74)48(75,76)77)1-3-79-5-7-81-9-11-83-13-15-85-17-19-87-21-23-89-25-27-91-29-31-93-33-34-94-32-30-92-28-26-90-24-22-88-20-18-86-16-14-84-12-10-82-8-6-80-4-2-78/h78H,1-34H2
InChIKey
FASPSFZCQDMKTH-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1468.4072 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1469.4145 328.9
[M+Na]+ 1491.3964 322.2
[M-H]- 1467.3999 338.3
[M+NH4]+ 1486.4410 345.6
[M+K]+ 1507.3704 343.8
[M+H-H2O]+ 1451.4045 313.5
[M+HCOO]- 1513.4054 332.8
[M+CH3COO]- 1527.4211 321.7
[M+Na-2H]- 1489.3819 316.3
[M]+ 1468.4067 340.0
[M]- 1468.4077 340.0
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.