CID 54595400

2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H8F2N2O3
SMILES
C1CN(C(=O)N1)C2=C(C=C(C(=C2)C(=O)O)F)F
InChI
InChI=1S/C10H8F2N2O3/c11-6-4-7(12)8(3-5(6)9(15)16)14-2-1-13-10(14)17/h3-4H,1-2H2,(H,13,17)(H,15,16)
InChIKey
CAJCWBYKSVAUQC-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-(2-oxoimidazolidin-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0503 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05758 147.9
[M+Na]+ 265.03952 157.1
[M-H]- 241.04302 147.4
[M+NH4]+ 260.08412 163.2
[M+K]+ 281.01346 152.7
[M+H-H2O]+ 225.04756 139.3
[M+HCOO]- 287.04850 163.7
[M+CH3COO]- 301.06415 186.5
[M+Na-2H]- 263.02497 147.5
[M]+ 242.04975 142.5
[M]- 242.05085 142.5
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.