CID 79022096

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

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1CC2=C(C1C#N)C=CC(=C2)Br
InChI
InChI=1S/C10H8BrN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2H2
InChIKey
VCYIHVIROJEXNZ-UHFFFAOYSA-N
Compound name
5-bromo-2,3-dihydro-1H-indene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

220.98401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 144.7
[M+Na]+ 243.97323 148.6
[M+NH4]+ 239.01783 148.1
[M+K]+ 259.94717 145.4
[M-H]- 219.97673 139.8
[M+Na-2H]- 241.95868 145.5
[M]+ 220.98346 142.1
[M]- 220.98456 142.1
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