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]+ 285.97096 149.6
[M+Na]+ 307.95290 164.6
[M-H]- 283.95640 157.5
[M+NH4]+ 302.99750 170.0
[M+K]+ 323.92684 155.5
[M+H-H2O]+ 267.96094 149.8
[M+HCOO]- 329.96188 171.4
[M+CH3COO]- 343.97753 193.5
[M+Na-2H]- 305.93835 157.3
[M]+ 284.96313 174.9
[M]- 284.96423 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.