CID 207526

30184-88-4

Structural Information

Molecular Formula
C12H11F6NO
SMILES
CC1C(OC(N1)(C(F)(F)F)C(F)(F)F)C2=CC=CC=C2
InChI
InChI=1S/C12H11F6NO/c1-7-9(8-5-3-2-4-6-8)20-10(19-7,11(13,14)15)12(16,17)18/h2-7,9,19H,1H3
InChIKey
ZNPHPNNGNBZVNM-UHFFFAOYSA-N
Compound name
4-methyl-5-phenyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0745 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08178 159.3
[M+Na]+ 322.06372 168.5
[M-H]- 298.06722 156.7
[M+NH4]+ 317.10832 175.0
[M+K]+ 338.03766 164.7
[M+H-H2O]+ 282.07176 149.0
[M+HCOO]- 344.07270 169.2
[M+CH3COO]- 358.08835 196.9
[M+Na-2H]- 320.04917 162.3
[M]+ 299.07395 149.1
[M]- 299.07505 149.1
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.