CID 61097542

5-(1-bromoethyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C11H13Br
SMILES
CC(C1=CC2=C(CCC2)C=C1)Br
InChI
InChI=1S/C11H13Br/c1-8(12)10-6-5-9-3-2-4-11(9)7-10/h5-8H,2-4H2,1H3
InChIKey
BOANVGUSBSJUMW-UHFFFAOYSA-N
Compound name
5-(1-bromoethyl)-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 147.7
[M+Na]+ 247.009288 158.6
[M-H]- 223.012794 154.7
[M+NH4]+ 242.053893 172.4
[M+K]+ 262.983228 147.7
[M+H-H2O]+ 207.017330 148.6
[M+HCOO]- 269.018271 167.4
[M+CH3COO]- 283.033921 187.4
[M+Na-2H]- 244.994736 153.1
[M]+ 224.01952142 164.7
[M]- 224.02061858 164.7
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