CID 10656298

5,7-dichloro-1-benzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H4Cl2O2
SMILES
C1=C2C=C(OC2=C(C=C1Cl)Cl)C=O
InChI
InChI=1S/C9H4Cl2O2/c10-6-1-5-2-7(4-12)13-9(5)8(11)3-6/h1-4H
InChIKey
MIIRMTCUUGENPA-UHFFFAOYSA-N
Compound name
5,7-dichloro-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

213.95883 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.966106 138.0
[M+Na]+ 236.948048 152.1
[M-H]- 212.951554 143.8
[M+NH4]+ 231.992653 160.3
[M+K]+ 252.921988 147.4
[M+H-H2O]+ 196.956090 134.8
[M+HCOO]- 258.957031 154.5
[M+CH3COO]- 272.972681 153.6
[M+Na-2H]- 234.933496 145.2
[M]+ 213.95828142 145.8
[M]- 213.95937858 145.8
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