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 140.7
[M+Na]+ 340.84122 156.8
[M-H]- 316.84472 148.2
[M+NH4]+ 335.88582 161.7
[M+K]+ 356.81516 142.9
[M+H-H2O]+ 300.84926 143.7
[M+HCOO]- 362.85020 148.9
[M+CH3COO]- 376.86585 195.4
[M+Na-2H]- 338.82667 146.7
[M]+ 317.85145 166.2
[M]- 317.85255 166.2
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.