CID 22413365

158820-53-2

Structural Information

Molecular Formula
C9H7ClO
SMILES
C1=CC2=C(C(=C1)CCl)OC=C2
InChI
InChI=1S/C9H7ClO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H,6H2
InChIKey
JACYXEXAYBGZIF-UHFFFAOYSA-N
Compound name
7-(chloromethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

166.01854 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.025816 129.0
[M+Na]+ 189.007758 140.8
[M-H]- 165.011264 134.9
[M+NH4]+ 184.052363 152.5
[M+K]+ 204.981698 137.6
[M+H-H2O]+ 149.015800 124.9
[M+HCOO]- 211.016741 150.4
[M+CH3COO]- 225.032391 144.9
[M+Na-2H]- 186.993206 138.6
[M]+ 166.01799142 134.4
[M]- 166.01908858 134.4
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