CID 165805931

2-(bromodifluoromethyl)-1,3-oxazole-4-carboxylicacid

Structural Information

Molecular Formula
C5H2BrF2NO3
SMILES
C1=C(N=C(O1)C(F)(F)Br)C(=O)O
InChI
InChI=1S/C5H2BrF2NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h1H,(H,10,11)
InChIKey
XGPMRRCQEVCKDK-UHFFFAOYSA-N
Compound name
2-[bromo(difluoro)methyl]-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.91861 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.92589 140.0
[M+Na]+ 263.90783 152.9
[M-H]- 239.91133 142.6
[M+NH4]+ 258.95243 159.7
[M+K]+ 279.88177 143.7
[M+H-H2O]+ 223.91587 139.1
[M+HCOO]- 285.91681 156.8
[M+CH3COO]- 299.93246 182.8
[M+Na-2H]- 261.89328 146.8
[M]+ 240.91806 157.4
[M]- 240.91916 157.4
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.