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 148.3
[M+Na]+ 367.81572 167.1
[M-H]- 343.81922 155.8
[M+NH4]+ 362.86032 168.2
[M+K]+ 383.78966 153.9
[M+H-H2O]+ 327.82376 151.8
[M+HCOO]- 389.82470 155.5
[M+CH3COO]- 403.84035 195.5
[M+Na-2H]- 365.80117 155.6
[M]+ 344.82595 175.3
[M]- 344.82705 175.3
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.