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]+ 181.04148 133.6
[M+Na]+ 203.02342 145.9
[M-H]- 179.02692 139.7
[M+NH4]+ 198.06802 156.9
[M+K]+ 218.99736 142.4
[M+H-H2O]+ 163.03146 129.6
[M+HCOO]- 225.03240 154.6
[M+CH3COO]- 239.04805 149.4
[M+Na-2H]- 201.00887 141.9
[M]+ 180.03365 139.7
[M]- 180.03475 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.