CID 59463017

5-bromo-4-methyl-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C10H9BrO
SMILES
CC1=C(C=CC2=C1CCC2=O)Br
InChI
InChI=1S/C10H9BrO/c1-6-7-3-5-10(12)8(7)2-4-9(6)11/h2,4H,3,5H2,1H3
InChIKey
RBVCMJNAVNKSIV-UHFFFAOYSA-N
Compound name
5-bromo-4-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

223.98367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 142.1
[M+Na]+ 246.97289 155.6
[M-H]- 222.97639 149.9
[M+NH4]+ 242.01749 167.3
[M+K]+ 262.94683 144.5
[M+H-H2O]+ 206.98093 143.4
[M+HCOO]- 268.98187 163.5
[M+CH3COO]- 282.99752 186.9
[M+Na-2H]- 244.95834 148.2
[M]+ 223.98312 160.8
[M]- 223.98422 160.8
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