CID 3023815

94158-61-9

Structural Information

Molecular Formula
C19H23F17O4
SMILES
CCCCOCCOCCOCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C19H23F17O4/c1-2-3-4-38-5-6-39-7-8-40-10-11(37)9-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h11,37H,2-10H2,1H3
InChIKey
RAGJTPVWQPJXKH-UHFFFAOYSA-N
Compound name
1-[2-(2-butoxyethoxy)ethoxy]-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

638.1325 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.13978 197.0
[M+Na]+ 661.12172 199.6
[M-H]- 637.12522 202.3
[M+NH4]+ 656.16632 206.6
[M+K]+ 677.09566 210.7
[M+H-H2O]+ 621.12976 185.6
[M+HCOO]- 683.13070 211.4
[M+CH3COO]- 697.14635 257.8
[M+Na-2H]- 659.10717 191.8
[M]+ 638.13195 194.9
[M]- 638.13305 194.9
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.