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

15
Patents

230.90865 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.91593 135.4
[M+Na]+ 253.89787 152.0
[M-H]- 229.90137 143.0
[M+NH4]+ 248.94247 158.8
[M+K]+ 269.87181 140.8
[M+H-H2O]+ 213.90591 136.8
[M+HCOO]- 275.90685 153.8
[M+CH3COO]- 289.92250 152.8
[M+Na-2H]- 251.88332 145.9
[M]+ 230.90810 159.1
[M]- 230.90920 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