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]+ 167.02582 129.0
[M+Na]+ 189.00776 140.8
[M-H]- 165.01126 134.9
[M+NH4]+ 184.05236 152.5
[M+K]+ 204.98170 137.6
[M+H-H2O]+ 149.01580 124.9
[M+HCOO]- 211.01674 150.4
[M+CH3COO]- 225.03239 144.9
[M+Na-2H]- 186.99321 138.6
[M]+ 166.01799 134.4
[M]- 166.01909 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