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

180
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 137.2
[M+Na]+ 218.97797 149.3
[M-H]- 194.98147 144.6
[M+NH4]+ 214.02257 163.1
[M+K]+ 234.95191 138.6
[M+H-H2O]+ 178.98601 138.5
[M+HCOO]- 240.98695 158.7
[M+CH3COO]- 255.00260 153.4
[M+Na-2H]- 216.96342 145.1
[M]+ 195.98820 154.3
[M]- 195.98930 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