CID 138039913

2241141-92-2

Structural Information

Molecular Formula
C7H5BrCl2O3S
SMILES
COC1=CC(=C(C=C1Cl)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H5BrCl2O3S/c1-13-6-3-7(14(10,11)12)4(8)2-5(6)9/h2-3H,1H3
InChIKey
WIGBRUWDFDUOQN-UHFFFAOYSA-N
Compound name
2-bromo-4-chloro-5-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.852 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.85928 145.6
[M+Na]+ 340.84122 150.6
[M+NH4]+ 335.88582 150.5
[M+K]+ 356.81516 149.1
[M-H]- 316.84472 145.2
[M+Na-2H]- 338.82667 148.9
[M]+ 317.85145 146.0
[M]- 317.85255 146.0
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.