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

18
Patents

147.99272 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.00000 124.9
[M+Na]+ 170.98194 133.8
[M-H]- 146.98544 129.2
[M+NH4]+ 166.02654 147.3
[M+K]+ 186.95588 133.0
[M+H-H2O]+ 130.98998 121.4
[M+HCOO]- 192.99092 143.0
[M+CH3COO]- 207.00657 170.2
[M+Na-2H]- 168.96739 129.6
[M]+ 147.99217 126.2
[M]- 147.99327 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