CID 20026178

124276-83-1

Structural Information

Molecular Formula
C10H8BrN
SMILES
C1CC1(C#N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H8BrN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5H2
InChIKey
VHNBUFCWKWBTIZ-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

220.98401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 139.5
[M+Na]+ 243.97323 159.2
[M-H]- 219.97673 149.5
[M+NH4]+ 239.01783 158.6
[M+K]+ 259.94717 144.5
[M+H-H2O]+ 203.98127 136.0
[M+HCOO]- 265.98221 161.9
[M+CH3COO]- 279.99786 155.2
[M+Na-2H]- 241.95868 149.5
[M]+ 220.98346 154.5
[M]- 220.98456 154.5
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