CID 26599254

(3-bromophenyl)(cyclopropylmethyl)sulfane

Structural Information

Molecular Formula

C₁₀H₁₁BrS

SMILES

C1CC1CSC2=CC(=CC=C2)Br

InChI

InChI=1S/C10H11BrS/c11-9-2-1-3-10(6-9)12-7-8-4-5-8/h1-3,6,8H,4-5,7H2

InChIKey

BIDNDPBMKWOGQG-UHFFFAOYSA-N

Compound name

1-bromo-3-(cyclopropylmethylsulfanyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.97649 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.983766	133.2
[M+Na]+	264.965708	146.7
[M-H]-	240.969214	143.5
[M+NH4]+	260.010313	151.0
[M+K]+	280.939648	134.9
[M+H-H2O]+	224.973750	133.1
[M+HCOO]-	286.974691	151.2
[M+CH3COO]-	300.990341	148.9
[M+Na-2H]-	262.951156	139.6
[M]+	241.97594142	154.8
[M]-	241.97703858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.