CID 90300116

5-chloro-3-(chloromethyl)-1-benzofuran

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]+ 200.98685 136.5
[M+Na]+ 222.96879 149.5
[M-H]- 198.97229 141.8
[M+NH4]+ 218.01339 159.2
[M+K]+ 238.94273 144.8
[M+H-H2O]+ 182.97683 133.0
[M+HCOO]- 244.97777 152.5
[M+CH3COO]- 258.99342 151.7
[M+Na-2H]- 220.95424 144.3
[M]+ 199.97902 143.1
[M]- 199.98012 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

No patent data available for this compound.