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

455
Patents

129.98216 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe