CID 104533

2-furancarbonyl chloride, tetrahydro-5-oxo-, (2r)-

Structural Information

Molecular Formula
C5H5ClO3
SMILES
C1CC(=O)O[C@H]1C(=O)Cl
InChI
InChI=1S/C5H5ClO3/c6-5(8)3-1-2-4(7)9-3/h3H,1-2H2/t3-/m1/s1
InChIKey
NNDIFJWAEOADAZ-GSVOUGTGSA-N
Compound name
(2R)-5-oxooxolane-2-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

147.99272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.999996 124.9
[M+Na]+ 170.981938 133.8
[M-H]- 146.985444 129.2
[M+NH4]+ 166.026543 147.3
[M+K]+ 186.955878 133.0
[M+H-H2O]+ 130.989980 121.4
[M+HCOO]- 192.990921 143.0
[M+CH3COO]- 207.006571 170.2
[M+Na-2H]- 168.967386 129.6
[M]+ 147.99217142 126.2
[M]- 147.99326858 126.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe