CID 83748714

(4-bromo-2-chlorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C7H5BrCl2O2S
SMILES
C1=CC(=C(C=C1Br)Cl)CS(=O)(=O)Cl
InChI
InChI=1S/C7H5BrCl2O2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2
InChIKey
DKFHGYLVFZYLCQ-UHFFFAOYSA-N
Compound name
(4-bromo-2-chlorophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.85706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.86434 139.0
[M+Na]+ 324.84628 154.7
[M-H]- 300.84978 146.3
[M+NH4]+ 319.89088 160.5
[M+K]+ 340.82022 140.2
[M+H-H2O]+ 284.85432 142.1
[M+HCOO]- 346.85526 147.1
[M+CH3COO]- 360.87091 192.5
[M+Na-2H]- 322.83173 145.5
[M]+ 301.85651 162.9
[M]- 301.85761 162.9
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.