CID 11540938

857637-92-4

Structural Information

Molecular Formula
C18H14F13NO2
SMILES
C1=CC=C(C=C1)C[C@H]2[C@H](OC(=O)N2)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H14F13NO2/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)7-6-11-10(32-12(33)34-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,32,33)/t10-,11+/m0/s1
InChIKey
LPSJVRKHQCWHPG-WDEREUQCSA-N
Compound name
(4S,5R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.08167 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.08895 182.3
[M+Na]+ 546.07089 182.1
[M+NH4]+ 541.11549 181.2
[M+K]+ 562.04483 181.3
[M-H]- 522.07439 178.1
[M+Na-2H]- 544.05634 180.6
[M]+ 523.08112 180.9
[M]- 523.08222 180.9
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.