CID 43651923

(allyloxy)(difluoro)acetic acid

Structural Information

Molecular Formula
C5H6F2O3
SMILES
C=CCOC(C(=O)O)(F)F
InChI
InChI=1S/C5H6F2O3/c1-2-3-10-5(6,7)4(8)9/h2H,1,3H2,(H,8,9)
InChIKey
QKFWELKESJPOME-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-prop-2-enoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.0285 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03578 131.4
[M+Na]+ 175.01772 138.5
[M+NH4]+ 170.06232 136.1
[M+K]+ 190.99166 135.5
[M-H]- 151.02122 125.5
[M+Na-2H]- 173.00317 132.4
[M]+ 152.02795 130.2
[M]- 152.02905 130.2
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.