CID 82408694

4-chloro-1-benzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H5ClO2
SMILES
C1=CC2=C(C=C(O2)C=O)C(=C1)Cl
InChI
InChI=1S/C9H5ClO2/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-5H
InChIKey
WWNHBGGOHXDDDC-UHFFFAOYSA-N
Compound name
4-chloro-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.9978 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.00508 130.7
[M+Na]+ 202.98702 143.6
[M-H]- 178.99052 137.0
[M+NH4]+ 198.03162 153.8
[M+K]+ 218.96096 140.4
[M+H-H2O]+ 162.99506 126.8
[M+HCOO]- 224.99600 152.5
[M+CH3COO]- 239.01165 146.9
[M+Na-2H]- 200.97247 139.6
[M]+ 179.99725 137.2
[M]- 179.99835 137.2
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