CID 12441784

5-bromo-1,1-dimethyl-2,3-dihydro-1h-indene

Structural Information

Molecular Formula

C₁₁H₁₃Br

SMILES

CC1(CCC2=C1C=CC(=C2)Br)C

InChI

InChI=1S/C11H13Br/c1-11(2)6-5-8-7-9(12)3-4-10(8)11/h3-4,7H,5-6H2,1-2H3

InChIKey

CJAMZOXRDGUJBU-UHFFFAOYSA-N

Compound name

6-bromo-3,3-dimethyl-1,2-dihydroindene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 224.02007 Da
Monoisotopic Mass: 4.3
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	144.2
[M+Na]+	247.009288	157.2
[M-H]-	223.012794	151.9
[M+NH4]+	242.053893	171.3
[M+K]+	262.983228	146.0
[M+H-H2O]+	207.017330	146.0
[M+HCOO]-	269.018271	165.0
[M+CH3COO]-	283.033921	187.2
[M+Na-2H]-	244.994736	151.4
[M]+	224.01952142	162.7
[M]-	224.02061858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe