CID 3023816

94158-62-0

Structural Information

Molecular Formula
C20H23F19O4
SMILES
CCCCOCCOCCOCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C20H23F19O4/c1-2-3-4-41-5-6-42-7-8-43-10-11(40)9-12(21,22)14(24,25)16(28,29)18(32,33)17(30,31)15(26,27)13(23,19(34,35)36)20(37,38)39/h11,40H,2-10H2,1H3
InChIKey
AGXPCTAFKVXMEO-UHFFFAOYSA-N
Compound name
1-[2-(2-butoxyethoxy)ethoxy]-4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-10-(trifluoromethyl)undecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

688.1293 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 689.13658 204.0
[M+Na]+ 711.11852 206.1
[M-H]- 687.12202 210.7
[M+NH4]+ 706.16312 214.5
[M+K]+ 727.09246 218.9
[M+H-H2O]+ 671.12656 191.5
[M+HCOO]- 733.12750 218.0
[M+CH3COO]- 747.14315 263.6
[M+Na-2H]- 709.10397 199.1
[M]+ 688.12875 202.0
[M]- 688.12985 202.0
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.