CID 84029543

4-bromo-6-chloro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H8BrCl
SMILES
C1CC2=C(C1)C(=CC(=C2)Cl)Br
InChI
InChI=1S/C9H8BrCl/c10-9-5-7(11)4-6-2-1-3-8(6)9/h4-5H,1-3H2
InChIKey
JFDPLEFLDMABKV-UHFFFAOYSA-N
Compound name
4-bromo-6-chloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.94978 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.957056 143.3
[M+Na]+ 252.938998 157.3
[M-H]- 228.942504 150.7
[M+NH4]+ 247.983603 169.0
[M+K]+ 268.912938 144.4
[M+H-H2O]+ 212.947040 145.3
[M+HCOO]- 274.947981 160.2
[M+CH3COO]- 288.963631 159.4
[M+Na-2H]- 250.924446 150.0
[M]+ 229.94923142 162.4
[M]- 229.95032858 162.4
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

No patent data available for this compound.