CID 137965594

2-(difluoromethyl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1CC(OC1)(C(F)F)C(=O)O
InChI
InChI=1S/C6H8F2O3/c7-4(8)6(5(9)10)2-1-3-11-6/h4H,1-3H2,(H,9,10)
InChIKey
HZVIQYJMIHJNRQ-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 130.0
[M+Na]+ 189.03336 136.7
[M-H]- 165.03686 130.1
[M+NH4]+ 184.07796 151.7
[M+K]+ 205.00730 137.3
[M+H-H2O]+ 149.04140 124.5
[M+HCOO]- 211.04234 147.6
[M+CH3COO]- 225.05799 172.3
[M+Na-2H]- 187.01881 133.7
[M]+ 166.04359 125.6
[M]- 166.04469 125.6
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.