CID 19025

2,3-dichlorotetrahydrofuran

Structural Information

Molecular Formula
C4H6Cl2O
SMILES
C1COC(C1Cl)Cl
InChI
InChI=1S/C4H6Cl2O/c5-3-1-2-7-4(3)6/h3-4H,1-2H2
InChIKey
ZQHLMWUFVRLDRK-UHFFFAOYSA-N
Compound name
2,3-dichlorooxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

139.97957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.98685 124.6
[M+Na]+ 162.96879 133.8
[M-H]- 138.97229 127.9
[M+NH4]+ 158.01339 147.8
[M+K]+ 178.94273 131.5
[M+H-H2O]+ 122.97683 121.6
[M+HCOO]- 184.97777 137.8
[M+CH3COO]- 198.99342 169.2
[M+Na-2H]- 160.95424 129.9
[M]+ 139.97902 125.2
[M]- 139.98012 125.2
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