CID 53440494

1,6-dibromo-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H8Br2
SMILES
C1CC2=C(C1Br)C=C(C=C2)Br
InChI
InChI=1S/C9H8Br2/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4H2
InChIKey
PHVPRXZBSMDAGD-UHFFFAOYSA-N
Compound name
1,6-dibromo-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

273.8993 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.906576 143.3
[M+Na]+ 296.888518 155.2
[M-H]- 272.892024 151.1
[M+NH4]+ 291.933123 165.8
[M+K]+ 312.862458 140.3
[M+H-H2O]+ 256.896560 152.5
[M+HCOO]- 318.897501 159.5
[M+CH3COO]- 332.913151 158.2
[M+Na-2H]- 294.873966 150.0
[M]+ 273.89875142 176.3
[M]- 273.89984858 176.3
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