CID 139595190

Hopas n=7 m=15

Structural Information

Molecular Formula
C44H61F29O15
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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/C44H61F29O15/c45-31(46,32(47,48)33(49,50)34(51,52)35(53,54)36(55,56)37(57,58)38(59,60)39(61,62)40(63,64)41(65,66)42(67,68)43(69,70)44(71,72)73)1-3-75-5-7-77-9-11-79-13-15-81-17-19-83-21-23-85-25-27-87-29-30-88-28-26-86-24-22-84-20-18-82-16-14-80-12-10-78-8-6-76-4-2-74/h74H,1-30H2
InChIKey
HBILHDUANMBILH-UHFFFAOYSA-N
Compound name
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]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1380.3547 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1381.3620 311.3
[M+Na]+ 1403.3439 305.5
[M-H]- 1379.3474 321.0
[M+NH4]+ 1398.3885 327.3
[M+K]+ 1419.3179 326.6
[M+H-H2O]+ 1363.3520 295.9
[M+HCOO]- 1425.3529 316.8
[M+CH3COO]- 1439.3686 316.7
[M+Na-2H]- 1401.3294 300.5
[M]+ 1380.3542 319.6
[M]- 1380.3552 319.6
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.