CID 90300116

131458-95-2

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1=CC2=C(C=C1Cl)C(=CO2)CCl
InChI
InChI=1S/C9H6Cl2O/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
InChIKey
VMFYNZKTRCRHJX-UHFFFAOYSA-N
Compound name
5-chloro-3-(chloromethyl)-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

199.97957 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.986846 136.5
[M+Na]+ 222.968788 149.5
[M-H]- 198.972294 141.8
[M+NH4]+ 218.013393 159.2
[M+K]+ 238.942728 144.8
[M+H-H2O]+ 182.976830 133.0
[M+HCOO]- 244.977771 152.5
[M+CH3COO]- 258.993421 151.7
[M+Na-2H]- 220.954236 144.3
[M]+ 199.97902142 143.1
[M]- 199.98011858 143.1
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