CID 11658684

192702-71-9

Structural Information

Molecular Formula
C9H8BrCl
SMILES
C1CC2=C(C1Br)C=CC(=C2)Cl
InChI
InChI=1S/C9H8BrCl/c10-9-4-1-6-5-7(11)2-3-8(6)9/h2-3,5,9H,1,4H2
InChIKey
ZBEIEMMSBLROPG-UHFFFAOYSA-N
Compound name
1-bromo-5-chloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

229.94978 Da
Monoisotopic Mass

3.5
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

literature stripe

Patent stripe

patents stripe