CID 2769630

5-chloro-2-furaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

475
Patents

129.98216 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.989436 118.9
[M+Na]+ 152.971378 129.9
[M-H]- 128.974884 123.8
[M+NH4]+ 148.015983 142.5
[M+K]+ 168.945318 128.5
[M+H-H2O]+ 112.979420 115.3
[M+HCOO]- 174.980361 140.5
[M+CH3COO]- 188.996011 167.4
[M+Na-2H]- 150.956826 126.8
[M]+ 129.98161142 123.0
[M]- 129.98270858 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

literature stripe

Patent stripe

patents stripe