CID 12441784

67159-87-9

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: 86
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]+	225.02735	144.2
[M+Na]+	247.00929	157.2
[M-H]-	223.01279	151.9
[M+NH4]+	242.05389	171.3
[M+K]+	262.98323	146.0
[M+H-H2O]+	207.01733	146.0
[M+HCOO]-	269.01827	165.0
[M+CH3COO]-	283.03392	187.2
[M+Na-2H]-	244.99474	151.4
[M]+	224.01952	162.7
[M]-	224.02062	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe