CID 4301569

1,1,3-tribromoindene

Structural Information

Molecular Formula
C9H5Br3
SMILES
C1=CC=C2C(=C1)C(=CC2(Br)Br)Br
InChI
InChI=1S/C9H5Br3/c10-8-5-9(11,12)7-4-2-1-3-6(7)8/h1-5H
InChIKey
OLZHNYQKUIKYTP-UHFFFAOYSA-N
Compound name
1,1,3-tribromoindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

349.79413 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.80141 143.9
[M+Na]+ 372.78335 153.6
[M-H]- 348.78685 150.7
[M+NH4]+ 367.82795 162.1
[M+K]+ 388.75729 139.1
[M+H-H2O]+ 332.79139 160.5
[M+HCOO]- 394.79233 155.2
[M+CH3COO]- 408.80798 156.2
[M+Na-2H]- 370.76880 150.3
[M]+ 349.79358 185.4
[M]- 349.79468 185.4
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