CID 207922

2-(trifluoromethyl)-1,3-oxazolidine

Structural Information

Molecular Formula
C4H6F3NO
SMILES
C1COC(N1)C(F)(F)F
InChI
InChI=1S/C4H6F3NO/c5-4(6,7)3-8-1-2-9-3/h3,8H,1-2H2
InChIKey
FBPSIMNHRRIBKV-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

72
Patents

141.04015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04743 122.4
[M+Na]+ 164.02937 129.9
[M-H]- 140.03287 119.7
[M+NH4]+ 159.07397 142.1
[M+K]+ 180.00331 129.6
[M+H-H2O]+ 124.03741 114.9
[M+HCOO]- 186.03835 138.1
[M+CH3COO]- 200.05400 166.9
[M+Na-2H]- 162.01482 128.3
[M]+ 141.03960 114.7
[M]- 141.04070 114.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe