CID 5237

Fluoroacetic acid

Structural Information

Molecular Formula

SMILES

C(C(=O)O)F

InChI

InChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)

InChIKey

QEWYKACRFQMRMB-UHFFFAOYSA-N

Compound name

2-fluoroacetic acid

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 392
References: 76712
Patents: 78.01171 Da
Monoisotopic Mass: 0.2
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]+	79.018986	108.0
[M+Na]+	101.00093	116.5
[M-H]-	77.004434	106.2
[M+NH4]+	96.045533	131.4
[M+K]+	116.97487	116.8
[M+H-H2O]+	61.008970	103.6
[M+HCOO]-	123.00991	130.2
[M+CH3COO]-	137.02556	158.9
[M+Na-2H]-	98.986376	114.9
[M]+	78.011161	106.2
[M]-	78.012259	106.2

Literature stripe

literature stripe

Patent stripe

patents stripe