CID 74191

1623-88-7

Structural Information

Molecular Formula
C6H5ClO2
SMILES
C1=C(OC(=C1)C=O)CCl
InChI
InChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
InChIKey
KAZRCBVXUOCTIO-UHFFFAOYSA-N
Compound name
5-(chloromethyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

928
Patents

143.9978 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.005076 123.8
[M+Na]+ 166.987018 134.4
[M-H]- 142.990524 128.5
[M+NH4]+ 162.031623 146.8
[M+K]+ 182.960958 132.7
[M+H-H2O]+ 126.995060 120.0
[M+HCOO]- 188.996001 145.1
[M+CH3COO]- 203.011651 170.5
[M+Na-2H]- 164.972466 131.1
[M]+ 143.99725142 128.2
[M]- 143.99834858 128.2
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