CID 11503830

871210-22-9

Structural Information

Molecular Formula
C14H14F13NO2
SMILES
CC(C)[C@H]1[C@H](OC(=O)N1)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C14H14F13NO2/c1-5(2)7-6(30-8(29)28-7)3-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-7H,3-4H2,1-2H3,(H,28,29)/t6-,7+/m1/s1
InChIKey
KIONFYCZIQVYKJ-RQJHMYQMSA-N
Compound name
(4S,5R)-4-propan-2-yl-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
2
Annotation Hits

0
References

0
Patents

475.0817 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.08898 193.8
[M+Na]+ 498.07092 201.1
[M-H]- 474.07442 180.6
[M+NH4]+ 493.11552 199.8
[M+K]+ 514.04486 197.9
[M+H-H2O]+ 458.07896 180.3
[M+HCOO]- 520.07990 188.1
[M+CH3COO]- 534.09555 232.0
[M+Na-2H]- 496.05637 193.4
[M]+ 475.08115 173.6
[M]- 475.08225 173.6
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.