CID 40521

Flamprop-methyl

Structural Information

Molecular Formula

C₁₇H₁₅ClFNO₃

SMILES

CC(C(=O)OC)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15ClFNO3/c1-11(17(22)23-2)20(13-8-9-15(19)14(18)10-13)16(21)12-6-4-3-5-7-12/h3-11H,1-2H3

InChIKey

RBNIGDFIUWJJEV-UHFFFAOYSA-N

Compound name

methyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 7324
Patents: 335.07245 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	336.07973	173.2
[M+Na]+	358.06167	180.2
[M-H]-	334.06517	180.0
[M+NH4]+	353.10627	187.8
[M+K]+	374.03561	176.9
[M+H-H2O]+	318.06971	165.0
[M+HCOO]-	380.07065	190.7
[M+CH3COO]-	394.08630	213.7
[M+Na-2H]-	356.04712	173.4
[M]+	335.07190	177.0
[M]-	335.07300	177.0

Literature stripe

literature stripe

Patent stripe

patents stripe