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

16
Patents

220.98401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.991286 142.2
[M+Na]+ 243.973228 157.3
[M-H]- 219.976734 147.7
[M+NH4]+ 239.017833 164.8
[M+K]+ 259.947168 143.8
[M+H-H2O]+ 203.981270 136.3
[M+HCOO]- 265.982211 162.2
[M+CH3COO]- 279.997861 156.5
[M+Na-2H]- 241.958676 148.5
[M]+ 220.98346142 153.4
[M]- 220.98455858 153.4
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