CID 3063938

101834-51-9

Structural Information

Molecular Formula
C13H13F6NO
SMILES
CC1C(OC(N1)(C(F)(F)F)C(F)(F)F)CC2=CC=CC=C2
InChI
InChI=1S/C13H13F6NO/c1-8-10(7-9-5-3-2-4-6-9)21-11(20-8,12(14,15)16)13(17,18)19/h2-6,8,10,20H,7H2,1H3
InChIKey
JIYSFOLVTTWLAP-UHFFFAOYSA-N
Compound name
5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09740 164.0
[M+Na]+ 336.07934 172.7
[M-H]- 312.08284 161.1
[M+NH4]+ 331.12394 179.1
[M+K]+ 352.05328 168.8
[M+H-H2O]+ 296.08738 153.5
[M+HCOO]- 358.08832 173.5
[M+CH3COO]- 372.10397 199.8
[M+Na-2H]- 334.06479 166.5
[M]+ 313.08957 154.1
[M]- 313.09067 154.1
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.