CID 267139

5-bromo-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C9H9Br
SMILES
C1CC2=C(C1)C=C(C=C2)Br
InChI
InChI=1S/C9H9Br/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKey
UMEFRXDFDVRHMJ-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

195.98875 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.996026 137.2
[M+Na]+ 218.977968 149.3
[M-H]- 194.981474 144.6
[M+NH4]+ 214.022573 163.1
[M+K]+ 234.951908 138.6
[M+H-H2O]+ 178.986010 138.5
[M+HCOO]- 240.986951 158.7
[M+CH3COO]- 255.002601 153.4
[M+Na-2H]- 216.963416 145.1
[M]+ 195.98820142 154.3
[M]- 195.98929858 154.3
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