CID 68461977

5-(2-chloroethoxy)-1-benzofuran

Structural Information

Molecular Formula
C10H9ClO2
SMILES
C1=CC2=C(C=CO2)C=C1OCCCl
InChI
InChI=1S/C10H9ClO2/c11-4-6-12-9-1-2-10-8(7-9)3-5-13-10/h1-3,5,7H,4,6H2
InChIKey
SLBFBKCAUZIXKD-UHFFFAOYSA-N
Compound name
5-(2-chloroethoxy)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

196.02911 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.03639 137.0
[M+Na]+ 219.01833 148.2
[M-H]- 195.02183 142.7
[M+NH4]+ 214.06293 159.2
[M+K]+ 234.99227 145.3
[M+H-H2O]+ 179.02637 132.4
[M+HCOO]- 241.02731 158.2
[M+CH3COO]- 255.04296 180.4
[M+Na-2H]- 217.00378 145.9
[M]+ 196.02856 144.1
[M]- 196.02966 144.1
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