CID 50998046

4-bromo-3-chloro-2-methylbenzenesulfonyl chloride

Structural Information

Molecular Formula
C7H5BrCl2O2S
SMILES
CC1=C(C=CC(=C1Cl)Br)S(=O)(=O)Cl
InChI
InChI=1S/C7H5BrCl2O2S/c1-4-6(13(10,11)12)3-2-5(8)7(4)9/h2-3H,1H3
InChIKey
IBGUPNRWQXZKPZ-UHFFFAOYSA-N
Compound name
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.85706 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.86434 142.7
[M+Na]+ 324.84628 148.1
[M+NH4]+ 319.89088 148.1
[M+K]+ 340.82022 146.2
[M-H]- 300.84978 142.8
[M+Na-2H]- 322.83173 146.4
[M]+ 301.85651 143.4
[M]- 301.85761 143.4
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

No patent data available for this compound.