CID 11789614

55745-68-1

Structural Information

Molecular Formula
C9H9ClO
SMILES
C1COC2=C1C=C(C=C2)CCl
InChI
InChI=1S/C9H9ClO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6H2
InChIKey
SWPANFDAIKLKBD-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,3-dihydro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.0342 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04148 132.2
[M+Na]+ 191.02342 141.8
[M-H]- 167.02692 137.3
[M+NH4]+ 186.06802 155.3
[M+K]+ 206.99736 139.0
[M+H-H2O]+ 151.03146 128.0
[M+HCOO]- 213.03240 150.6
[M+CH3COO]- 227.04805 146.9
[M+Na-2H]- 189.00887 139.7
[M]+ 168.03365 134.5
[M]- 168.03475 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe