CID 3929110

299166-66-8

Structural Information

Molecular Formula

C₉H₁₀FNO₃

SMILES

COC1=C(C=C(C=C1)C(C(=O)O)N)F

InChI

InChI=1S/C9H10FNO3/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8H,11H2,1H3,(H,12,13)

InChIKey

BPKLMQYFJHGPQW-UHFFFAOYSA-N

Compound name

2-amino-2-(3-fluoro-4-methoxyphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 199.06447 Da
Monoisotopic Mass: -1.6
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]+	200.07175	140.9
[M+Na]+	222.05369	150.4
[M+NH4]+	217.09829	147.0
[M+K]+	238.02763	146.8
[M-H]-	198.05719	140.1
[M+Na-2H]-	220.03914	144.7
[M]+	199.06392	141.6
[M]-	199.06502	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe