CID 105519933

2-(4-bromophenyl)-1lambda6-thiolane-1,1-dione

Structural Information

Molecular Formula
C10H11BrO2S
SMILES
C1CC(S(=O)(=O)C1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrO2S/c11-9-5-3-8(4-6-9)10-2-1-7-14(10,12)13/h3-6,10H,1-2,7H2
InChIKey
LKDYDDZJXQOQPT-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)thiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9663 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.97358 143.4
[M+Na]+ 296.95552 156.8
[M-H]- 272.95902 153.5
[M+NH4]+ 292.00012 167.9
[M+K]+ 312.92946 145.3
[M+H-H2O]+ 256.96356 145.2
[M+HCOO]- 318.96450 160.9
[M+CH3COO]- 332.98015 188.8
[M+Na-2H]- 294.94097 148.0
[M]+ 273.96575 163.1
[M]- 273.96685 163.1
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.