CID 2747571

5-bromo-1h-indene

Structural Information

Molecular Formula
C9H7Br
SMILES
C1C=CC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H7Br/c10-9-5-4-7-2-1-3-8(7)6-9/h1,3-6H,2H2
InChIKey
ZPZKSAJLIFPVSR-UHFFFAOYSA-N
Compound name
5-bromo-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

163
Patents

193.97311 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.98039 134.4
[M+Na]+ 216.96233 138.9
[M+NH4]+ 212.00693 141.5
[M+K]+ 232.93627 138.7
[M-H]- 192.96583 136.3
[M+Na-2H]- 214.94778 138.9
[M]+ 193.97256 134.5
[M]- 193.97366 134.5
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