CID 10965463

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

Structural Information

Molecular Formula
C9H9Br
SMILES
C1C(CC2=CC=CC=C21)Br
InChI
InChI=1S/C9H9Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6H2
InChIKey
APYDCTAPNKFTRB-UHFFFAOYSA-N
Compound name
2-bromo-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

195.98875 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe