CID 14360706

119619-10-2

Structural Information

Molecular Formula
C5H4BrNO2
SMILES
CC(=O)C1=CON=C1Br
InChI
InChI=1S/C5H4BrNO2/c1-3(8)4-2-9-7-5(4)6/h2H,1H3
InChIKey
DHEMSPYLZBHRLX-UHFFFAOYSA-N
Compound name
1-(3-bromo-1,2-oxazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.94254 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.94982 128.8
[M+Na]+ 211.93176 142.0
[M-H]- 187.93526 135.0
[M+NH4]+ 206.97636 151.3
[M+K]+ 227.90570 133.8
[M+H-H2O]+ 171.93980 129.2
[M+HCOO]- 233.94074 150.4
[M+CH3COO]- 247.95639 177.9
[M+Na-2H]- 209.91721 136.7
[M]+ 188.94199 149.4
[M]- 188.94309 149.4
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.