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

7
Patents

152.0285 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.035776 125.3
[M+Na]+ 175.017718 133.4
[M-H]- 151.021224 121.9
[M+NH4]+ 170.062323 145.7
[M+K]+ 190.991658 132.7
[M+H-H2O]+ 135.025760 119.9
[M+HCOO]- 197.026701 144.4
[M+CH3COO]- 211.042351 172.1
[M+Na-2H]- 173.003166 130.9
[M]+ 152.02795142 123.7
[M]- 152.02904858 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

patents stripe