CID 105504090

2-(3-bromophenyl)thiolane

Structural Information

Molecular Formula
C10H11BrS
SMILES
C1CC(SC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H11BrS/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7,10H,2,5-6H2
InChIKey
FGVCXWCCAFCJLH-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)thiolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.97649 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.983766 141.0
[M+Na]+ 264.965708 152.8
[M-H]- 240.969214 150.7
[M+NH4]+ 260.010313 164.9
[M+K]+ 280.939648 141.4
[M+H-H2O]+ 224.973750 142.2
[M+HCOO]- 286.974691 157.9
[M+CH3COO]- 300.990341 156.7
[M+Na-2H]- 262.951156 144.6
[M]+ 241.97594142 158.5
[M]- 241.97703858 158.5
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.