CID 165940322

4-(bromomethyl)-7-methyl-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₁H₁₃Br

SMILES

CC1=C2CCCC2=C(C=C1)CBr

InChI

InChI=1S/C11H13Br/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6H,2-4,7H2,1H3

InChIKey

BZRUBHBMRKPVBV-UHFFFAOYSA-N

Compound name

4-(bromomethyl)-7-methyl-2,3-dihydro-1H-indene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 224.02007 Da
Monoisotopic Mass: 3.7
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]+	225.027346	146.2
[M+Na]+	247.009288	158.3
[M-H]-	223.012794	153.5
[M+NH4]+	242.053893	171.3
[M+K]+	262.983228	147.0
[M+H-H2O]+	207.017330	147.2
[M+HCOO]-	269.018271	166.9
[M+CH3COO]-	283.033921	187.7
[M+Na-2H]-	244.994736	152.2
[M]+	224.01952142	164.2
[M]-	224.02061858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.