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

10
Patents

213.95883 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.96611 138.0
[M+Na]+ 236.94805 152.1
[M-H]- 212.95155 143.8
[M+NH4]+ 231.99265 160.3
[M+K]+ 252.92199 147.4
[M+H-H2O]+ 196.95609 134.8
[M+HCOO]- 258.95703 154.5
[M+CH3COO]- 272.97268 153.6
[M+Na-2H]- 234.93350 145.2
[M]+ 213.95828 145.8
[M]- 213.95938 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