CID 137698987

1240605-58-6

Structural Information

Molecular Formula
C5HBrF3NO3
SMILES
C1(=C(OC(=N1)C(F)(F)F)Br)C(=O)O
InChI
InChI=1S/C5HBrF3NO3/c6-2-1(3(11)12)10-4(13-2)5(7,8)9/h(H,11,12)
InChIKey
MJSVAKMLDOHRDG-UHFFFAOYSA-N
Compound name
5-bromo-2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.90918 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.91646 143.2
[M+Na]+ 281.89840 157.0
[M-H]- 257.90190 144.8
[M+NH4]+ 276.94300 162.4
[M+K]+ 297.87234 147.4
[M+H-H2O]+ 241.90644 141.6
[M+HCOO]- 303.90738 159.0
[M+CH3COO]- 317.92303 186.0
[M+Na-2H]- 279.88385 148.7
[M]+ 258.90863 159.6
[M]- 258.90973 159.6
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.