CID 16212222

Flufenacet oa

Structural Information

Molecular Formula

C₁₁H₁₂FNO₃

SMILES

CC(C)N(C1=CC=C(C=C1)F)C(=O)C(=O)O

InChI

InChI=1S/C11H12FNO3/c1-7(2)13(10(14)11(15)16)9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H,15,16)

InChIKey

FFKNXXCOXIZLJD-UHFFFAOYSA-N

Compound name

2-(4-fluoro-N-propan-2-ylanilino)-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 8
Patents: 225.08012 Da
Monoisotopic Mass: 2.1
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]+	226.08740	148.9
[M+Na]+	248.06934	157.9
[M+NH4]+	243.11394	154.7
[M+K]+	264.04328	154.6
[M-H]-	224.07284	148.1
[M+Na-2H]-	246.05479	152.7
[M]+	225.07957	149.5
[M]-	225.08067	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe