CID 2782423

Sodium iodofluoroacetate

Structural Information

Molecular Formula

SMILES

C(C(=O)O)(F)I

InChI

InChI=1S/C2H2FIO2/c3-1(4)2(5)6/h1H,(H,5,6)

InChIKey

SJXIKOHXQZCHCS-UHFFFAOYSA-N

Compound name

2-fluoro-2-iodoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 203.90836 Da
Monoisotopic Mass: 0.9
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]+	204.91564	123.5
[M+Na]+	226.89758	124.5
[M-H]-	202.90108	115.2
[M+NH4]+	221.94218	140.9
[M+K]+	242.87152	130.6
[M+H-H2O]+	186.90562	115.3
[M+HCOO]-	248.90656	139.5
[M+CH3COO]-	262.92221	172.3
[M+Na-2H]-	224.88303	116.3
[M]+	203.90781	118.8
[M]-	203.90891	118.8

Literature stripe

literature stripe

Patent stripe

patents stripe