CID 165993172

7-(chloromethyl)-3-methyl-1-benzofuran

Structural Information

Molecular Formula
C10H9ClO
SMILES
CC1=COC2=C(C=CC=C12)CCl
InChI
InChI=1S/C10H9ClO/c1-7-6-12-10-8(5-11)3-2-4-9(7)10/h2-4,6H,5H2,1H3
InChIKey
LMDYHKPZPPTCSB-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-3-methyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.0342 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.041476 133.6
[M+Na]+ 203.023418 145.9
[M-H]- 179.026924 139.7
[M+NH4]+ 198.068023 156.9
[M+K]+ 218.997358 142.4
[M+H-H2O]+ 163.031460 129.6
[M+HCOO]- 225.032401 154.6
[M+CH3COO]- 239.048051 149.4
[M+Na-2H]- 201.008866 141.9
[M]+ 180.03365142 139.7
[M]- 180.03474858 139.7
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.