CID 2795273

124276-67-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

554
Patents

220.98401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.991286 139.5
[M+Na]+ 243.973228 159.2
[M-H]- 219.976734 149.5
[M+NH4]+ 239.017833 158.6
[M+K]+ 259.947168 144.5
[M+H-H2O]+ 203.981270 136.0
[M+HCOO]- 265.982211 161.9
[M+CH3COO]- 279.997861 155.2
[M+Na-2H]- 241.958676 149.5
[M]+ 220.98346142 154.5
[M]- 220.98455858 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