CID 13400170

23145-14-4

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

80
Patents

179.9978 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.005076 130.7
[M+Na]+ 202.987018 143.6
[M-H]- 178.990524 137.0
[M+NH4]+ 198.031623 153.8
[M+K]+ 218.960958 140.4
[M+H-H2O]+ 162.995060 126.8
[M+HCOO]- 224.996001 152.5
[M+CH3COO]- 239.011651 146.9
[M+Na-2H]- 200.972466 139.6
[M]+ 179.99725142 137.2
[M]- 179.99834858 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

literature stripe

Patent stripe

patents stripe