CID 167740806

5-(difluoromethyl)oxolan-3-one

Structural Information

Molecular Formula
C5H6F2O2
SMILES
C1C(OCC1=O)C(F)F
InChI
InChI=1S/C5H6F2O2/c6-5(7)4-1-3(8)2-9-4/h4-5H,1-2H2
InChIKey
RCGHQRCZNKRTMY-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)oxolan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.03358 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 121.5
[M+Na]+ 159.02280 129.4
[M-H]- 135.02630 123.1
[M+NH4]+ 154.06740 143.5
[M+K]+ 174.99674 130.1
[M+H-H2O]+ 119.03084 115.3
[M+HCOO]- 181.03178 141.7
[M+CH3COO]- 195.04743 170.6
[M+Na-2H]- 157.00825 125.5
[M]+ 136.03303 117.8
[M]- 136.03413 117.8
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

No patent data available for this compound.