CID 139597316

Hopas n=7 m=16

Structural Information

Molecular Formula
C46H65F29O16
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C46H65F29O16/c47-33(48,34(49,50)35(51,52)36(53,54)37(55,56)38(57,58)39(59,60)40(61,62)41(63,64)42(65,66)43(67,68)44(69,70)45(71,72)46(73,74)75)1-3-77-5-7-79-9-11-81-13-15-83-17-19-85-21-23-87-25-27-89-29-31-91-32-30-90-28-26-88-24-22-86-20-18-84-16-14-82-12-10-80-8-6-78-4-2-76/h76H,1-32H2
InChIKey
ULWLMQBVISMWHM-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1424.381 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1425.3883 320.0
[M+Na]+ 1447.3702 313.8
[M-H]- 1423.3737 329.6
[M+NH4]+ 1442.4148 336.4
[M+K]+ 1463.3442 335.2
[M+H-H2O]+ 1407.3783 304.6
[M+HCOO]- 1469.3792 324.7
[M+CH3COO]- 1483.3949 319.3
[M+Na-2H]- 1445.3557 308.3
[M]+ 1424.3805 329.7
[M]- 1424.3815 329.7
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.