CID 21217395

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

Structural Information

Molecular Formula
C10H9BrO
SMILES
CC1CC(=O)C2=C1C(=CC=C2)Br
InChI
InChI=1S/C10H9BrO/c1-6-5-9(12)7-3-2-4-8(11)10(6)7/h2-4,6H,5H2,1H3
InChIKey
KRXGZWSZRJEHMX-UHFFFAOYSA-N
Compound name
4-bromo-3-methyl-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 145.8
[M+NH4]+ 242.01749 148.1
[M+K]+ 262.94683 146.3
[M-H]- 222.97639 143.1
[M+Na-2H]- 244.95834 144.5
[M]+ 223.98312 141.7
[M]- 223.98422 141.7
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