CID 11745586

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

Structural Information

Molecular Formula
C9H9Br
SMILES
C1CC2=C(C1)C(=CC=C2)Br
InChI
InChI=1S/C9H9Br/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2
InChIKey
JCQMGSFTMQWFPE-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

195.98875 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99603 136.3
[M+Na]+ 218.97797 140.0
[M+NH4]+ 214.02257 143.3
[M+K]+ 234.95191 139.9
[M-H]- 194.98147 138.0
[M+Na-2H]- 216.96342 139.9
[M]+ 195.98820 136.2
[M]- 195.98930 136.2
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