CID 13400170

5-chlorobenzofuran-2-carbaldehyde

Structural Information

Molecular Formula
C9H5ClO2
SMILES
C1=CC2=C(C=C1Cl)C=C(O2)C=O
InChI
InChI=1S/C9H5ClO2/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChIKey
AYMDSEGLAHWJLP-UHFFFAOYSA-N
Compound name
5-chloro-1-benzofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
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 129.6
[M+Na]+ 202.98702 145.6
[M+NH4]+ 198.03162 139.7
[M+K]+ 218.96096 139.9
[M-H]- 178.99052 133.7
[M+Na-2H]- 200.97247 137.2
[M]+ 179.99725 133.5
[M]- 179.99835 133.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe