CID 83875623

5-chloro-1-benzofuran-7-carbaldehyde

Structural Information

Molecular Formula
C9H5ClO2
SMILES
C1=COC2=C(C=C(C=C21)Cl)C=O
InChI
InChI=1S/C9H5ClO2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-5H
InChIKey
NJJWPXGZSZTJSL-UHFFFAOYSA-N
Compound name
5-chloro-1-benzofuran-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.9978 Da
Monoisotopic Mass

2.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.