CID 129952602

1-bromo-4-(1-ethynylcyclopropyl)benzene

Structural Information

Molecular Formula
C11H9Br
SMILES
C#CC1(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H9Br/c1-2-11(7-8-11)9-3-5-10(12)6-4-9/h1,3-6H,7-8H2
InChIKey
FAUGGFKVUTUGGF-UHFFFAOYSA-N
Compound name
1-bromo-4-(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]+ 220.99603 139.9
[M+Na]+ 242.97797 160.0
[M-H]- 218.98147 149.1
[M+NH4]+ 238.02257 159.0
[M+K]+ 258.95191 144.6
[M+H-H2O]+ 202.98601 137.2
[M+HCOO]- 264.98695 160.3
[M+CH3COO]- 279.00260 155.5
[M+Na-2H]- 240.96342 149.1
[M]+ 219.98820 154.5
[M]- 219.98930 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.