CID 184348

2-chloromethylbenzofuran

Structural Information

Molecular Formula
C9H7ClO
SMILES
C1=CC=C2C(=C1)C=C(O2)CCl
InChI
InChI=1S/C9H7ClO/c10-6-8-5-7-3-1-2-4-9(7)11-8/h1-5H,6H2
InChIKey
LSGCBNJHZGJEEJ-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

252
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

literature stripe

Patent stripe

patents stripe