CID 71757294

5-bromo-7-chloro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride

Structural Information

Molecular Formula
C7H2BrCl2NO4S
SMILES
C1=C2C(=C(C(=C1Br)S(=O)(=O)Cl)Cl)OC(=O)N2
InChI
InChI=1S/C7H2BrCl2NO4S/c8-2-1-3-5(15-7(12)11-3)4(9)6(2)16(10,13)14/h1H,(H,11,12)
InChIKey
BSWJSKVRMYJKFB-UHFFFAOYSA-N
Compound name
5-bromo-7-chloro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.8265 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.83378 154.3
[M+Na]+ 367.81572 159.5
[M+NH4]+ 362.86032 158.2
[M+K]+ 383.78966 160.1
[M-H]- 343.81922 153.7
[M+Na-2H]- 365.80117 155.6
[M]+ 344.82595 154.6
[M]- 344.82705 154.6
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.