CID 2774352

Ethyl 2-(3,4-difluorophenyl)-2-oxoacetate

Structural Information

Molecular Formula
C10H8F2O3
SMILES
CCOC(=O)C(=O)C1=CC(=C(C=C1)F)F
InChI
InChI=1S/C10H8F2O3/c1-2-15-10(14)9(13)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3
InChIKey
DYIBSNLBZKOXNA-UHFFFAOYSA-N
Compound name
ethyl 2-(3,4-difluorophenyl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

214.04414 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.051416 139.7
[M+Na]+ 237.033358 148.7
[M-H]- 213.036864 141.2
[M+NH4]+ 232.077963 158.5
[M+K]+ 253.007298 147.0
[M+H-H2O]+ 197.041400 132.3
[M+HCOO]- 259.042341 160.9
[M+CH3COO]- 273.057991 187.5
[M+Na-2H]- 235.018806 142.4
[M]+ 214.04359142 140.0
[M]- 214.04468858 140.0
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