CID 77231537

3-(trifluoromethyl)-1,2-oxazole-4-carbonyl chloride

Structural Information

Molecular Formula
C5HClF3NO2
SMILES
C1=C(C(=NO1)C(F)(F)F)C(=O)Cl
InChI
InChI=1S/C5HClF3NO2/c6-4(11)2-1-12-10-3(2)5(7,8)9/h1H
InChIKey
IOCAJOMWFZPXQQ-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-1,2-oxazole-4-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.9648 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97208 129.1
[M+Na]+ 221.95402 140.4
[M-H]- 197.95752 128.8
[M+NH4]+ 216.99862 148.4
[M+K]+ 237.92796 138.5
[M+H-H2O]+ 181.96206 122.1
[M+HCOO]- 243.96300 143.8
[M+CH3COO]- 257.97865 178.8
[M+Na-2H]- 219.93947 134.8
[M]+ 198.96425 129.0
[M]- 198.96535 129.0
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.