CID 100728

Brn 1121917

Structural Information

Molecular Formula
C10H8BrNO4
SMILES
CCOC(=O)N1C(=O)C2=C(O1)C=CC(=C2)Br
InChI
InChI=1S/C10H8BrNO4/c1-2-15-10(14)12-9(13)7-5-6(11)3-4-8(7)16-12/h3-5H,2H2,1H3
InChIKey
OJOVEIOWGUJHRY-UHFFFAOYSA-N
Compound name
ethyl 5-bromo-3-oxo-1,2-benzoxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96368 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.970956 149.6
[M+Na]+ 307.952898 164.6
[M-H]- 283.956404 157.5
[M+NH4]+ 302.997503 170.0
[M+K]+ 323.926838 155.5
[M+H-H2O]+ 267.960940 149.8
[M+HCOO]- 329.961881 171.4
[M+CH3COO]- 343.977531 193.5
[M+Na-2H]- 305.938346 157.3
[M]+ 284.96313142 174.9
[M]- 284.96422858 174.9
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.