CID 83912448

4-bromo-2,2-dimethyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula

C₁₁H₁₁BrO

SMILES

CC1(CC2=C(C1=O)C=CC=C2Br)C

InChI

InChI=1S/C11H11BrO/c1-11(2)6-8-7(10(11)13)4-3-5-9(8)12/h3-5H,6H2,1-2H3

InChIKey

DSEGYIMRVRDRHZ-UHFFFAOYSA-N

Compound name

4-bromo-2,2-dimethyl-3H-inden-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 237.99933 Da
Monoisotopic Mass: 3.3
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]+	239.00661	144.5
[M+Na]+	260.98855	158.5
[M-H]-	236.99205	152.5
[M+NH4]+	256.03315	171.2
[M+K]+	276.96249	147.2
[M+H-H2O]+	220.99659	146.4
[M+HCOO]-	282.99753	165.6
[M+CH3COO]-	297.01318	189.3
[M+Na-2H]-	258.97400	151.3
[M]+	237.99878	164.0
[M]-	237.99988	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe