CID 50998046

1208075-53-9

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 138.2
[M+Na]+ 324.84628 154.5
[M-H]- 300.84978 145.8
[M+NH4]+ 319.89088 159.9
[M+K]+ 340.82022 140.1
[M+H-H2O]+ 284.85432 141.4
[M+HCOO]- 346.85526 146.2
[M+CH3COO]- 360.87091 193.6
[M+Na-2H]- 322.83173 144.0
[M]+ 301.85651 162.3
[M]- 301.85761 162.3
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.