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

7
Patents

237.99933 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.006606 144.5
[M+Na]+ 260.988548 158.5
[M-H]- 236.992054 152.5
[M+NH4]+ 256.033153 171.2
[M+K]+ 276.962488 147.2
[M+H-H2O]+ 220.996590 146.4
[M+HCOO]- 282.997531 165.6
[M+CH3COO]- 297.013181 189.3
[M+Na-2H]- 258.973996 151.3
[M]+ 237.99878142 164.0
[M]- 237.99987858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe