CID 83478763

5-chloro-3-furancarboxaldehyde

Structural Information

Molecular Formula
C5H3ClO2
SMILES
C1=C(OC=C1C=O)Cl
InChI
InChI=1S/C5H3ClO2/c6-5-1-4(2-7)3-8-5/h1-3H
InChIKey
CIVLRBXEVIZMEM-UHFFFAOYSA-N
Compound name
5-chlorofuran-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

129.98216 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.98944 118.9
[M+Na]+ 152.97138 129.9
[M-H]- 128.97488 123.8
[M+NH4]+ 148.01598 142.5
[M+K]+ 168.94532 128.5
[M+H-H2O]+ 112.97942 115.3
[M+HCOO]- 174.98036 140.5
[M+CH3COO]- 188.99601 167.4
[M+Na-2H]- 150.95683 126.8
[M]+ 129.98161 123.0
[M]- 129.98271 123.0
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