CID 43651829

Sodium 2,2-difluoro-2-phenoxyacetate

Structural Information

Molecular Formula
C8H6F2O3
SMILES
C1=CC=C(C=C1)OC(C(=O)O)(F)F
InChI
InChI=1S/C8H6F2O3/c9-8(10,7(11)12)13-6-4-2-1-3-5-6/h1-5H,(H,11,12)
InChIKey
ONGVLQNJSPASFO-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-phenoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

188.0285 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03578 133.4
[M+Na]+ 211.01772 141.2
[M-H]- 187.02122 133.2
[M+NH4]+ 206.06232 152.0
[M+K]+ 226.99166 139.6
[M+H-H2O]+ 171.02576 126.5
[M+HCOO]- 233.02670 153.0
[M+CH3COO]- 247.04235 177.4
[M+Na-2H]- 209.00317 140.0
[M]+ 188.02795 131.2
[M]- 188.02905 131.2
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

patents stripe