CID 129952603

1-bromo-3-(1-ethynylcyclopropyl)benzene

Structural Information

Molecular Formula
C11H9Br
SMILES
C#CC1(CC1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H9Br/c1-2-11(6-7-11)9-4-3-5-10(12)8-9/h1,3-5,8H,6-7H2
InChIKey
IDJDDAONGUABRR-UHFFFAOYSA-N
Compound name
1-bromo-3-(1-ethynylcyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.98875 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.996026 139.9
[M+Na]+ 242.977968 160.0
[M-H]- 218.981474 149.1
[M+NH4]+ 238.022573 159.0
[M+K]+ 258.951908 144.6
[M+H-H2O]+ 202.986010 137.2
[M+HCOO]- 264.986951 160.3
[M+CH3COO]- 279.002601 155.5
[M+Na-2H]- 240.963416 149.1
[M]+ 219.98820142 154.5
[M]- 219.98929858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.