CID 10750927

2-(4-bromophenyl)propanenitrile

Structural Information

Molecular Formula
C9H8BrN
SMILES
CC(C#N)C1=CC=C(C=C1)Br
InChI
InChI=1S/C9H8BrN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3
InChIKey
FSSOXPFLDSMDKO-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

208.98401 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.991286 135.4
[M+Na]+ 231.973228 148.8
[M-H]- 207.976734 140.2
[M+NH4]+ 227.017833 155.7
[M+K]+ 247.947168 137.3
[M+H-H2O]+ 191.981270 129.1
[M+HCOO]- 253.982211 155.3
[M+CH3COO]- 267.997861 196.5
[M+Na-2H]- 229.958676 142.3
[M]+ 208.98346142 147.0
[M]- 208.98455858 147.0
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