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 149.8
[M+Na]+ 261.06458 158.0
[M-H]- 237.06808 151.5
[M+NH4]+ 256.10918 165.8
[M+K]+ 277.03852 154.8
[M+H-H2O]+ 221.07262 141.3
[M+HCOO]- 283.07356 167.9
[M+CH3COO]- 297.08921 187.3
[M+Na-2H]- 259.05003 150.5
[M]+ 238.07481 147.1
[M]- 238.07591 147.1
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