CID 139598011

10:1 fluorotelomer ether acetate

Structural Information

Molecular Formula
C13H5F21O3
SMILES
C(C(=O)O)OCC(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
InChI
InChI=1S/C13H5F21O3/c14-4(15,2-37-1-3(35)36)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h1-2H2,(H,35,36)
InChIKey
YJCULLIVLPEEKZ-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

607.99036 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.99764 180.6
[M+Na]+ 630.97958 184.3
[M-H]- 606.98308 190.8
[M+NH4]+ 626.02418 191.8
[M+K]+ 646.95352 195.9
[M+H-H2O]+ 590.98762 168.3
[M+HCOO]- 652.98856 197.5
[M+CH3COO]- 667.00421 250.4
[M+Na-2H]- 628.96503 180.3
[M]+ 607.98981 178.8
[M]- 607.99091 178.8
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.