CID 59218449

6836-48-2

Structural Information

Molecular Formula

C₁₁H₁₃Br

SMILES

C1CCC2=C(C1)C=CC(=C2)CBr

InChI

InChI=1S/C11H13Br/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h5-7H,1-4,8H2

InChIKey

INYVMCJPALSCPL-UHFFFAOYSA-N

Compound name

6-(bromomethyl)-1,2,3,4-tetrahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 224.02007 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]+	225.027346	143.3
[M+Na]+	247.009288	153.3
[M-H]-	223.012794	149.9
[M+NH4]+	242.053893	166.2
[M+K]+	262.983228	142.1
[M+H-H2O]+	207.017330	143.9
[M+HCOO]-	269.018271	161.9
[M+CH3COO]-	283.033921	157.9
[M+Na-2H]-	244.994736	151.6
[M]+	224.01952142	159.0
[M]-	224.02061858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe