CID 71757375

1260017-17-1

Structural Information

Molecular Formula
C9H6BrClO
SMILES
C1CC(=O)C2=C1C(=CC(=C2)Br)Cl
InChI
InChI=1S/C9H6BrClO/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4H,1-2H2
InChIKey
CIJVZOAAXYBBEM-UHFFFAOYSA-N
Compound name
6-bromo-4-chloro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.92906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.936336 144.0
[M+Na]+ 266.918278 159.0
[M-H]- 242.921784 151.8
[M+NH4]+ 261.962883 169.3
[M+K]+ 282.892218 146.0
[M+H-H2O]+ 226.926320 146.1
[M+HCOO]- 288.927261 161.3
[M+CH3COO]- 302.942911 187.7
[M+Na-2H]- 264.903726 150.2
[M]+ 243.92851142 164.2
[M]- 243.92960858 164.2
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