CID 84717108

2,2-difluoro-2-(oxolan-3-yl)acetic acid

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1COCC1C(C(=O)O)(F)F
InChI
InChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-1-2-11-3-4/h4H,1-3H2,(H,9,10)
InChIKey
ZYFGRURIQBHJFR-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(oxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.04414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.05142 136.3
[M+Na]+ 189.03336 142.7
[M+NH4]+ 184.07796 141.8
[M+K]+ 205.00730 141.9
[M-H]- 165.03686 133.4
[M+Na-2H]- 187.01881 137.2
[M]+ 166.04359 135.8
[M]- 166.04469 135.8
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.