CID 10899044

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

Structural Information

Molecular Formula
C6H8F2O3
SMILES
C1CC(OC1)C(C(=O)O)(F)F
InChI
InChI=1S/C6H8F2O3/c7-6(8,5(9)10)4-2-1-3-11-4/h4H,1-3H2,(H,9,10)
InChIKey
XNHRBXIYSXVOGJ-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(oxolan-2-yl)acetic 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 129.5
[M+Na]+ 189.033358 136.0
[M-H]- 165.036864 129.4
[M+NH4]+ 184.077963 149.4
[M+K]+ 205.007298 136.4
[M+H-H2O]+ 149.041400 123.7
[M+HCOO]- 211.042341 146.6
[M+CH3COO]- 225.057991 172.2
[M+Na-2H]- 187.018806 134.1
[M]+ 166.04359142 124.9
[M]- 166.04468858 124.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.