CID 91800297

1935226-28-0

Structural Information

Molecular Formula
C8H8BrClO2S
SMILES
CCC1=C(C=CC(=C1)S(=O)(=O)Cl)Br
InChI
InChI=1S/C8H8BrClO2S/c1-2-6-5-7(13(10,11)12)3-4-8(6)9/h3-5H,2H2,1H3
InChIKey
VFVICIOMELGYIH-UHFFFAOYSA-N
Compound name
4-bromo-3-ethylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 138.9
[M+Na]+ 304.90090 153.8
[M-H]- 280.90440 146.5
[M+NH4]+ 299.94550 160.7
[M+K]+ 320.87484 140.3
[M+H-H2O]+ 264.90894 141.0
[M+HCOO]- 326.90988 151.4
[M+CH3COO]- 340.92553 190.9
[M+Na-2H]- 302.88635 145.4
[M]+ 281.91113 162.6
[M]- 281.91223 162.6
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.