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]+ 167.051416 130.0
[M+Na]+ 189.033358 136.7
[M-H]- 165.036864 130.1
[M+NH4]+ 184.077963 151.7
[M+K]+ 205.007298 137.3
[M+H-H2O]+ 149.041400 124.5
[M+HCOO]- 211.042341 147.6
[M+CH3COO]- 225.057991 172.3
[M+Na-2H]- 187.018806 133.7
[M]+ 166.04359142 125.6
[M]- 166.04468858 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.