CID 71755781

2,5-dibromo-4-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5Br2ClO2S
SMILES
CC1=CC(=C(C=C1Br)S(=O)(=O)Cl)Br
InChI
InChI=1S/C7H5Br2ClO2S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,1H3
InChIKey
CPAWOFBDWQWEEC-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.80655 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.81383 132.6
[M+Na]+ 368.79577 147.4
[M-H]- 344.79927 140.8
[M+NH4]+ 363.84037 152.3
[M+K]+ 384.76971 129.6
[M+H-H2O]+ 328.80381 142.4
[M+HCOO]- 390.80475 141.7
[M+CH3COO]- 404.82040 205.8
[M+Na-2H]- 366.78122 139.6
[M]+ 345.80600 170.5
[M]- 345.80710 170.5
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.