CID 12322868

1-(2-bromoethyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CC2=CC=CC=C2C1CCBr
InChI
InChI=1S/C11H13Br/c12-8-7-10-6-5-9-3-1-2-4-11(9)10/h1-4,10H,5-8H2
InChIKey
BUOUZXCRZVKJNT-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

224.02007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.027346 146.8
[M+Na]+ 247.009288 158.0
[M-H]- 223.012794 153.7
[M+NH4]+ 242.053893 171.5
[M+K]+ 262.983228 146.7
[M+H-H2O]+ 207.017330 147.6
[M+HCOO]- 269.018271 167.5
[M+CH3COO]- 283.033921 186.6
[M+Na-2H]- 244.994736 153.4
[M]+ 224.01952142 164.4
[M]- 224.02061858 164.4
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