CID 14371088

117541-42-1

Structural Information

Molecular Formula
C4HClF3NO
SMILES
C1=C(ON=C1C(F)(F)F)Cl
InChI
InChI=1S/C4HClF3NO/c5-3-1-2(9-10-3)4(6,7)8/h1H
InChIKey
FFUBVNQZIYKLOV-UHFFFAOYSA-N
Compound name
5-chloro-3-(trifluoromethyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.96988 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.97716 122.8
[M+Na]+ 193.95910 134.5
[M-H]- 169.96260 122.5
[M+NH4]+ 189.00370 143.4
[M+K]+ 209.93304 132.6
[M+H-H2O]+ 153.96714 115.9
[M+HCOO]- 215.96808 138.3
[M+CH3COO]- 229.98373 173.9
[M+Na-2H]- 191.94455 130.1
[M]+ 170.96933 122.2
[M]- 170.97043 122.2
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

patents stripe