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 129.5
[M+Na]+ 189.03336 136.0
[M-H]- 165.03686 129.4
[M+NH4]+ 184.07796 149.4
[M+K]+ 205.00730 136.4
[M+H-H2O]+ 149.04140 123.7
[M+HCOO]- 211.04234 146.6
[M+CH3COO]- 225.05799 172.2
[M+Na-2H]- 187.01881 134.1
[M]+ 166.04359 124.9
[M]- 166.04469 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.