CID 67790

Butyl fluoroacetate

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

CCCCOC(=O)CF

InChI

InChI=1S/C6H11FO2/c1-2-3-4-9-6(8)5-7/h2-5H2,1H3

InChIKey

FZXXGBGMLALCIH-UHFFFAOYSA-N

Compound name

butyl 2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 185
Patents: 134.07431 Da
Monoisotopic Mass: 1.7
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]+	135.081586	126.1
[M+Na]+	157.063528	133.5
[M-H]-	133.067034	125.2
[M+NH4]+	152.108133	148.2
[M+K]+	173.037468	133.8
[M+H-H2O]+	117.071570	120.8
[M+HCOO]-	179.072511	148.6
[M+CH3COO]-	193.088161	173.1
[M+Na-2H]-	155.048976	131.5
[M]+	134.07376142	127.7
[M]-	134.07485858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe