CID 154585067

Bwy4m9ecd7

Structural Information

Molecular Formula

C₁₅H₁₃ClFNO₃

SMILES

C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)CO)CC(=O)O)F

InChI

InChI=1S/C15H13ClFNO3/c16-11-2-1-3-12(17)15(11)18-13-5-4-9(8-19)6-10(13)7-14(20)21/h1-6,18-19H,7-8H2,(H,20,21)

InChIKey

PREBINJQDJNORC-UHFFFAOYSA-N

Compound name

2-[2-(2-chloro-6-fluoroanilino)-5-(hydroxymethyl)phenyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 309.0568 Da
Monoisotopic Mass: 2.9
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]+	310.064076	165.6
[M+Na]+	332.046018	174.4
[M-H]-	308.049524	168.9
[M+NH4]+	327.090623	179.9
[M+K]+	348.019958	168.0
[M+H-H2O]+	292.054060	158.5
[M+HCOO]-	354.055001	181.9
[M+CH3COO]-	368.070651	202.5
[M+Na-2H]-	330.031466	167.5
[M]+	309.05625142	166.5
[M]-	309.05734858	166.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.