CID 65322370

(2-bromo-5-methoxyphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H8BrClO3S
SMILES
COC1=CC(=C(C=C1)Br)CS(=O)(=O)Cl
InChI
InChI=1S/C8H8BrClO3S/c1-13-7-2-3-8(9)6(4-7)5-14(10,11)12/h2-4H,5H2,1H3
InChIKey
UGDONJBCTOYANW-UHFFFAOYSA-N
Compound name
(2-bromo-5-methoxyphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.90662 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.913896 141.7
[M+Na]+ 320.895838 156.3
[M-H]- 296.899344 149.2
[M+NH4]+ 315.940443 162.8
[M+K]+ 336.869778 143.4
[M+H-H2O]+ 280.903880 143.5
[M+HCOO]- 342.904821 154.4
[M+CH3COO]- 356.920471 192.8
[M+Na-2H]- 318.881286 148.3
[M]+ 297.90607142 166.7
[M]- 297.90716858 166.7
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.