CID 17872298

79477-89-7

Structural Information

Molecular Formula
C8H4F2O3
SMILES
C1=CC(=C(C=C1F)F)C(=O)C(=O)O
InChI
InChI=1S/C8H4F2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3H,(H,12,13)
InChIKey
NYWZGAKUVLWWEU-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.01285 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.02013 130.6
[M+Na]+ 209.00207 140.0
[M-H]- 185.00557 131.1
[M+NH4]+ 204.04667 149.8
[M+K]+ 224.97601 137.9
[M+H-H2O]+ 169.01011 123.9
[M+HCOO]- 231.01105 151.0
[M+CH3COO]- 245.02670 179.5
[M+Na-2H]- 206.98752 134.0
[M]+ 186.01230 128.4
[M]- 186.01340 128.4
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