CID 56843016

86130-60-1

Structural Information

Molecular Formula
C14H7F17O4
SMILES
C(COC(=O)/C=C/C(=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/C14H7F17O4/c15-7(16,3-4-35-6(34)2-1-5(32)33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-2H,3-4H2,(H,32,33)/b2-1+
InChIKey
ULSWUGAAPQZIFJ-OWOJBTEDSA-N
Compound name
(E)-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecoxy)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

562.00726 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.01454 155.1
[M+Na]+ 584.99648 155.3
[M+NH4]+ 580.04108 155.4
[M+K]+ 600.97042 155.4
[M-H]- 560.99998 162.1
[M+Na-2H]- 582.98193 163.7
[M]+ 562.00671 155.2
[M]- 562.00781 155.2
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.