CID 56965775

2-bromooxazole-5-carboxylic acid

Structural Information

Molecular Formula
C4H2BrNO3
SMILES
C1=C(OC(=N1)Br)C(=O)O
InChI
InChI=1S/C4H2BrNO3/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChIKey
KJBUGQHOPFBVOK-UHFFFAOYSA-N
Compound name
2-bromo-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

190.92181 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.92909 127.6
[M+Na]+ 213.91103 140.6
[M-H]- 189.91453 132.7
[M+NH4]+ 208.95563 149.3
[M+K]+ 229.88497 132.2
[M+H-H2O]+ 173.91907 128.1
[M+HCOO]- 235.92001 148.3
[M+CH3COO]- 249.93566 174.6
[M+Na-2H]- 211.89648 135.6
[M]+ 190.92126 147.4
[M]- 190.92236 147.4
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

patents stripe