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 125.3
[M+Na]+ 175.01772 133.4
[M-H]- 151.02122 121.9
[M+NH4]+ 170.06232 145.7
[M+K]+ 190.99166 132.7
[M+H-H2O]+ 135.02576 119.9
[M+HCOO]- 197.02670 144.4
[M+CH3COO]- 211.04235 172.1
[M+Na-2H]- 173.00317 130.9
[M]+ 152.02795 123.7
[M]- 152.02905 123.7
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.