CID 23006251

893638-85-2

Structural Information

Molecular Formula
C4H2BrNO3
SMILES
C1=NOC(=C1Br)C(=O)O
InChI
InChI=1S/C4H2BrNO3/c5-2-1-6-9-3(2)4(7)8/h1H,(H,7,8)
InChIKey
UMTKQJBOZAQILA-UHFFFAOYSA-N
Compound name
4-bromo-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.92181 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.929086 127.6
[M+Na]+ 213.911028 140.6
[M-H]- 189.914534 132.7
[M+NH4]+ 208.955633 149.3
[M+K]+ 229.884968 132.2
[M+H-H2O]+ 173.919070 128.1
[M+HCOO]- 235.920011 148.3
[M+CH3COO]- 249.935661 174.6
[M+Na-2H]- 211.896476 135.6
[M]+ 190.92126142 147.4
[M]- 190.92235858 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

No patent data available for this compound.