CID 6433056

97259-81-9

Structural Information

Molecular Formula
C15H10F17NO4
SMILES
C(C(CNC(=O)/C=C\C(=O)O)O)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
InChI
InChI=1S/C15H10F17NO4/c16-8(17,3-5(34)4-33-6(35)1-2-7(36)37)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-2,5,34H,3-4H2,(H,33,35)(H,36,37)/b2-1-
InChIKey
XNKYZUYJMBXTGL-UPHRSURJSA-N
Compound name
(Z)-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

591.0338 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.04108 155.3
[M+Na]+ 614.02302 155.5
[M+NH4]+ 609.06762 155.6
[M+K]+ 629.99696 155.6
[M-H]- 590.02652 155.3
[M+Na-2H]- 612.00847 163.7
[M]+ 591.03325 155.4
[M]- 591.03435 155.4
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.