CID 122669014

2041259-17-8

Structural Information

Molecular Formula
C9H8BrCl
SMILES
C1CC2=C(C1Br)C(=CC=C2)Cl
InChI
InChI=1S/C9H8BrCl/c10-7-5-4-6-2-1-3-8(11)9(6)7/h1-3,7H,4-5H2
InChIKey
LRMBFPBLLRVYBY-UHFFFAOYSA-N
Compound name
1-bromo-7-chloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

229.94978 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.95706 141.8
[M+Na]+ 252.93900 146.6
[M+NH4]+ 247.98360 149.0
[M+K]+ 268.91294 145.8
[M-H]- 228.94250 143.5
[M+Na-2H]- 250.92445 145.2
[M]+ 229.94923 142.2
[M]- 229.95033 142.2
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