CID 59456871

Methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate

Structural Information

Molecular Formula
C11H11FN2O3
SMILES
COC(=O)C1=CC(=C(C=C1)N2CCNC2=O)F
InChI
InChI=1S/C11H11FN2O3/c1-17-10(15)7-2-3-9(8(12)6-7)14-5-4-13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,16)
InChIKey
ROPRIFLKCBEZDO-UHFFFAOYSA-N
Compound name
methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.07536 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08264 153.4
[M+Na]+ 261.06458 163.4
[M+NH4]+ 256.10918 158.8
[M+K]+ 277.03852 160.7
[M-H]- 237.06808 152.4
[M+Na-2H]- 259.05003 157.0
[M]+ 238.07481 154.0
[M]- 238.07591 154.0
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