CID 91487

3,4-dichloro-5-hydroxyfuran-2(5h)-one

Structural Information

Molecular Formula
C4H2Cl2O3
SMILES
C1(C(=C(C(=O)O1)Cl)Cl)O
InChI
InChI=1S/C4H2Cl2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H
InChIKey
ZAKLKBFCSHJIRI-UHFFFAOYSA-N
Compound name
3,4-dichloro-2-hydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

6959
Patents

167.9381 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.94538 125.3
[M+Na]+ 190.92732 137.2
[M-H]- 166.93082 128.6
[M+NH4]+ 185.97192 147.4
[M+K]+ 206.90126 134.2
[M+H-H2O]+ 150.93536 123.3
[M+HCOO]- 212.93630 139.3
[M+CH3COO]- 226.95195 171.6
[M+Na-2H]- 188.91277 130.2
[M]+ 167.93755 128.7
[M]- 167.93865 128.7
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