CID 139594635

Hopas n=6 m=19

Structural Information

Molecular Formula
C50H77F25O19
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)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
InChI
InChI=1S/C50H77F25O19/c51-39(52,40(53,54)41(55,56)42(57,58)43(59,60)44(61,62)45(63,64)46(65,66)47(67,68)48(69,70)49(71,72)50(73,74)75)1-3-77-5-7-79-9-11-81-13-15-83-17-19-85-21-23-87-25-27-89-29-31-91-33-35-93-37-38-94-36-34-92-32-30-90-28-26-88-24-22-86-20-18-84-16-14-82-12-10-80-8-6-78-4-2-76/h76H,1-38H2
InChIKey
CVZSDTFNNBKIIA-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)ethoxy]ethoxy]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

1456.466 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1457.4733 340.4
[M+Na]+ 1479.4552 332.1
[M-H]- 1455.4587 347.9
[M+NH4]+ 1474.4998 358.2
[M+K]+ 1495.4292 354.1
[M+H-H2O]+ 1439.4633 325.0
[M+HCOO]- 1501.4642 342.9
[M+CH3COO]- 1515.4799 330.2
[M+Na-2H]- 1477.4407 323.7
[M]+ 1456.4655 355.2
[M]- 1456.4665 355.2
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.