CID 123703400

2438334-58-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

229.94978 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95706 143.3
[M+Na]+ 252.93900 157.3
[M-H]- 228.94250 150.7
[M+NH4]+ 247.98360 169.0
[M+K]+ 268.91294 144.4
[M+H-H2O]+ 212.94704 145.3
[M+HCOO]- 274.94798 160.2
[M+CH3COO]- 288.96363 159.4
[M+Na-2H]- 250.92445 150.0
[M]+ 229.94923 162.4
[M]- 229.95033 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

patents stripe