CID 65815892

1260013-03-3

Structural Information

Molecular Formula
C9H6BrClO
SMILES
C1CC(=O)C2=C(C=CC(=C21)Br)Cl
InChI
InChI=1S/C9H6BrClO/c10-6-2-3-7(11)9-5(6)1-4-8(9)12/h2-3H,1,4H2
InChIKey
MILQBZVMFHXNNO-UHFFFAOYSA-N
Compound name
4-bromo-7-chloro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

243.92906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.93634 143.5
[M+Na]+ 266.91828 148.2
[M+NH4]+ 261.96288 149.9
[M+K]+ 282.89222 148.0
[M-H]- 242.92178 144.6
[M+Na-2H]- 264.90373 146.2
[M]+ 243.92851 143.6
[M]- 243.92961 143.6
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