CID 855002

1-bromo-3-(ethenesulfonyl)benzene

Structural Information

Molecular Formula
C8H7BrO2S
SMILES
C=CS(=O)(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C8H7BrO2S/c1-2-12(10,11)8-5-3-4-7(9)6-8/h2-6H,1H2
InChIKey
OLIANFUVVGMTDW-UHFFFAOYSA-N
Compound name
1-bromo-3-ethenylsulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.93501 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.94229 133.6
[M+Na]+ 268.92423 147.1
[M-H]- 244.92773 140.7
[M+NH4]+ 263.96883 155.5
[M+K]+ 284.89817 134.9
[M+H-H2O]+ 228.93227 134.7
[M+HCOO]- 290.93321 150.6
[M+CH3COO]- 304.94886 185.4
[M+Na-2H]- 266.90968 140.9
[M]+ 245.93446 154.5
[M]- 245.93556 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe