CID 83848333

5-(pyrrolidin-2-yl)-3-(trifluoromethyl)-1,2-oxazole hydrochloride

Structural Information

Molecular Formula
C8H9F3N2O
SMILES
C1CC(NC1)C2=CC(=NO2)C(F)(F)F
InChI
InChI=1S/C8H9F3N2O/c9-8(10,11)7-4-6(14-13-7)5-2-1-3-12-5/h4-5,12H,1-3H2
InChIKey
BZMCYHAODJICKN-UHFFFAOYSA-N
Compound name
5-pyrrolidin-2-yl-3-(trifluoromethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.073976 138.5
[M+Na]+ 229.055918 146.5
[M-H]- 205.059424 138.1
[M+NH4]+ 224.100523 156.1
[M+K]+ 245.029858 144.7
[M+H-H2O]+ 189.063960 129.6
[M+HCOO]- 251.064901 153.9
[M+CH3COO]- 265.080551 178.8
[M+Na-2H]- 227.041366 141.2
[M]+ 206.06615142 131.8
[M]- 206.06724858 131.8
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.