CID 83746448

(4-bromo-2-methylphenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H8BrClO2S
SMILES
CC1=C(C=CC(=C1)Br)CS(=O)(=O)Cl
InChI
InChI=1S/C8H8BrClO2S/c1-6-4-8(9)3-2-7(6)5-13(10,11)12/h2-4H,5H2,1H3
InChIKey
KCPOAWGNCBKOOI-UHFFFAOYSA-N
Compound name
(4-bromo-2-methylphenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.91168 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.918956 138.9
[M+Na]+ 304.900898 153.8
[M-H]- 280.904404 146.5
[M+NH4]+ 299.945503 160.7
[M+K]+ 320.874838 140.3
[M+H-H2O]+ 264.908940 141.0
[M+HCOO]- 326.909881 151.4
[M+CH3COO]- 340.925531 190.9
[M+Na-2H]- 302.886346 145.4
[M]+ 281.91113142 162.6
[M]- 281.91222858 162.6
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.