CID 2737049

237424-16-7

Structural Information

Molecular Formula

C₈H₇F₂NO₂

SMILES

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

InChI

InChI=1S/C8H7F2NO2/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)

InChIKey

DNWOZEQWCCXGRU-UHFFFAOYSA-N

Compound name

2-amino-2-(2,3-difluorophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 123
Patents: 187.04448 Da
Monoisotopic Mass: -1.5
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]+	188.05176	134.6
[M+Na]+	210.03370	142.8
[M-H]-	186.03720	134.4
[M+NH4]+	205.07830	153.2
[M+K]+	226.00764	140.4
[M+H-H2O]+	170.04174	127.5
[M+HCOO]-	232.04268	154.9
[M+CH3COO]-	246.05833	182.7
[M+Na-2H]-	208.01915	136.9
[M]+	187.04393	129.8
[M]-	187.04503	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe