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 142.2
[M+Na]+ 243.97323 157.3
[M-H]- 219.97673 147.7
[M+NH4]+ 239.01783 164.8
[M+K]+ 259.94717 143.8
[M+H-H2O]+ 203.98127 136.3
[M+HCOO]- 265.98221 162.2
[M+CH3COO]- 279.99786 156.5
[M+Na-2H]- 241.95868 148.5
[M]+ 220.98346 153.4
[M]- 220.98456 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