CID 44146147

94159-87-2

Structural Information

Molecular Formula
C14H12F17NO3
SMILES
CN(CC(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)CC(=O)O
InChI
InChI=1S/C14H12F17NO3/c1-32(4-6(34)35)3-5(33)2-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5,33H,2-4H2,1H3,(H,34,35)
InChIKey
YRTGMXXBZFNZRR-UHFFFAOYSA-N
Compound name
2-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.05457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.06185 163.4
[M+Na]+ 588.04379 163.4
[M+NH4]+ 583.08839 163.1
[M+K]+ 604.01773 155.6
[M-H]- 564.04729 161.9
[M+Na-2H]- 586.02924 163.5
[M]+ 565.05402 162.9
[M]- 565.05512 162.9
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.