CID 131555792

Methyl 7-bromo-1,2-benzoxazole-4-carboxylate

Structural Information

Molecular Formula
C9H6BrNO3
SMILES
COC(=O)C1=C2C=NOC2=C(C=C1)Br
InChI
InChI=1S/C9H6BrNO3/c1-13-9(12)5-2-3-7(10)8-6(5)4-11-14-8/h2-4H,1H3
InChIKey
XHKMNRSDVABGCR-UHFFFAOYSA-N
Compound name
methyl 7-bromo-1,2-benzoxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.95311 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.96039 145.1
[M+Na]+ 277.94233 149.3
[M+NH4]+ 272.98693 149.5
[M+K]+ 293.91627 151.6
[M-H]- 253.94583 145.8
[M+Na-2H]- 275.92778 147.6
[M]+ 254.95256 144.7
[M]- 254.95366 144.7
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.