CID 151973

3,4-dichloro-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C4H2Cl2O2
SMILES
C1C(=C(C(=O)O1)Cl)Cl
InChI
InChI=1S/C4H2Cl2O2/c5-2-1-8-4(7)3(2)6/h1H2
InChIKey
ULWRZZDLLPNFEW-UHFFFAOYSA-N
Compound name
3,4-dichloro-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

151.94319 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.95047 123.1
[M+Na]+ 174.93241 134.6
[M-H]- 150.93591 127.3
[M+NH4]+ 169.97701 146.2
[M+K]+ 190.90635 132.0
[M+H-H2O]+ 134.94045 120.5
[M+HCOO]- 196.94139 138.3
[M+CH3COO]- 210.95704 170.9
[M+Na-2H]- 172.91786 129.0
[M]+ 151.94264 126.5
[M]- 151.94374 126.5
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