CID 66912210

1202879-00-2

Structural Information

Molecular Formula
C7H3BrClNO
SMILES
C1=CC2=C(C(=C1)Br)OC(=N2)Cl
InChI
InChI=1S/C7H3BrClNO/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H
InChIKey
WDNICSHMKHFUKS-UHFFFAOYSA-N
Compound name
7-bromo-2-chloro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

230.90865 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.915926 135.4
[M+Na]+ 253.897868 152.0
[M-H]- 229.901374 143.0
[M+NH4]+ 248.942473 158.8
[M+K]+ 269.871808 140.8
[M+H-H2O]+ 213.905910 136.8
[M+HCOO]- 275.906851 153.8
[M+CH3COO]- 289.922501 152.8
[M+Na-2H]- 251.883316 145.9
[M]+ 230.90810142 159.1
[M]- 230.90919858 159.1
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