CID 177798668

6-(chloromethyl)-3-methyl-2,3-dihydro-1-benzofuran

Structural Information

Molecular Formula
C10H11ClO
SMILES
CC1COC2=C1C=CC(=C2)CCl
InChI
InChI=1S/C10H11ClO/c1-7-6-12-10-4-8(5-11)2-3-9(7)10/h2-4,7H,5-6H2,1H3
InChIKey
OXRNGQVSGZWCPX-UHFFFAOYSA-N
Compound name
6-(chloromethyl)-3-methyl-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.057116 136.7
[M+Na]+ 205.039058 146.9
[M-H]- 181.042564 142.1
[M+NH4]+ 200.083663 159.7
[M+K]+ 221.012998 143.8
[M+H-H2O]+ 165.047100 132.7
[M+HCOO]- 227.048041 154.8
[M+CH3COO]- 241.063691 151.4
[M+Na-2H]- 203.024506 143.0
[M]+ 182.04929142 139.8
[M]- 182.05038858 139.8
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.