CID 165987632

4-(bromomethyl)-6-chloro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₀H₁₀BrCl

SMILES

C1CC2=C(C1)C(=CC(=C2)Cl)CBr

InChI

InChI=1S/C10H10BrCl/c11-6-8-5-9(12)4-7-2-1-3-10(7)8/h4-5H,1-3,6H2

InChIKey

COAFLWDSPLCXIU-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-6-chloro-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.96544 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]+	244.972716	148.1
[M+Na]+	266.954658	161.6
[M-H]-	242.958164	155.3
[M+NH4]+	261.999263	173.2
[M+K]+	282.928598	148.5
[M+H-H2O]+	226.962700	149.8
[M+HCOO]-	288.963641	164.7
[M+CH3COO]-	302.979291	163.7
[M+Na-2H]-	264.940106	154.2
[M]+	243.96489142	167.5
[M]-	243.96598858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.