CID 14421215

1-chloro-4-(1-ethynylcyclopropyl)benzene

Structural Information

Molecular Formula
C11H9Cl
SMILES
C#CC1(CC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9Cl/c1-2-11(7-8-11)9-3-5-10(12)6-4-9/h1,3-6H,7-8H2
InChIKey
YLYZLFYCKQUBDW-UHFFFAOYSA-N
Compound name
1-chloro-4-(1-ethynylcyclopropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

176.03928 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.04656 130.6
[M+Na]+ 199.02850 148.5
[M-H]- 175.03200 138.5
[M+NH4]+ 194.07310 148.8
[M+K]+ 215.00244 139.2
[M+H-H2O]+ 159.03654 122.9
[M+HCOO]- 221.03748 147.2
[M+CH3COO]- 235.05313 145.1
[M+Na-2H]- 197.01395 139.2
[M]+ 176.03873 130.6
[M]- 176.03983 130.6
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

patents stripe