CID 50876031

5-bromo-2,4-dimethylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C8H8BrClO2S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)Cl)Br)C
InChI
InChI=1S/C8H8BrClO2S/c1-5-3-6(2)8(4-7(5)9)13(10,11)12/h3-4H,1-2H3
InChIKey
PVNIDZKWTRPCOG-UHFFFAOYSA-N
Compound name
5-bromo-2,4-dimethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

281.91168 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.91896 139.0
[M+Na]+ 304.90090 143.7
[M+NH4]+ 299.94550 144.3
[M+K]+ 320.87484 142.4
[M-H]- 280.90440 139.2
[M+Na-2H]- 302.88635 142.7
[M]+ 281.91113 139.4
[M]- 281.91223 139.4
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

patents stripe