CID 75357535

1226072-99-6

Structural Information

Molecular Formula
C7H3BrClNO2
SMILES
C1=C(C=C(C2=C1OC(=O)N2)Cl)Br
InChI
InChI=1S/C7H3BrClNO2/c8-3-1-4(9)6-5(2-3)12-7(11)10-6/h1-2H,(H,10,11)
InChIKey
FLBXKYXECIUMJE-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

246.90356 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.910836 137.6
[M+Na]+ 269.892778 154.6
[M-H]- 245.896284 144.3
[M+NH4]+ 264.937383 159.9
[M+K]+ 285.866718 142.5
[M+H-H2O]+ 229.900820 139.3
[M+HCOO]- 291.901761 154.9
[M+CH3COO]- 305.917411 154.5
[M+Na-2H]- 267.878226 147.0
[M]+ 246.90301142 160.7
[M]- 246.90410858 160.7
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

patents stripe