CID 137698802

897026-79-8

Structural Information

Molecular Formula
C7H5Br2ClO3S
SMILES
COC1=CC(=C(C=C1Br)S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H5Br2ClO3S/c1-13-6-2-5(9)7(3-4(6)8)14(10,11)12/h2-3H,1H3
InChIKey
IKLHTRGEYKAJSA-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.80148 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.80876 134.7
[M+Na]+ 384.79070 149.2
[M-H]- 360.79420 142.8
[M+NH4]+ 379.83530 153.8
[M+K]+ 400.76464 131.9
[M+H-H2O]+ 344.79874 144.2
[M+HCOO]- 406.79968 143.9
[M+CH3COO]- 420.81533 207.3
[M+Na-2H]- 382.77615 141.8
[M]+ 361.80093 173.7
[M]- 361.80203 173.7
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.