CID 285092

Ethyl 2-fluorobutyrate

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

CCC(C(=O)OCC)F

InChI

InChI=1S/C6H11FO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3

InChIKey

ONLLXDPBECIJCM-UHFFFAOYSA-N

Compound name

ethyl 2-fluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 134.07431 Da
Monoisotopic Mass: 1.8
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]+	135.08159	126.4
[M+Na]+	157.06353	133.6
[M-H]-	133.06703	125.5
[M+NH4]+	152.10813	148.3
[M+K]+	173.03747	134.2
[M+H-H2O]+	117.07157	121.1
[M+HCOO]-	179.07251	147.9
[M+CH3COO]-	193.08816	174.0
[M+Na-2H]-	155.04898	130.4
[M]+	134.07376	127.3
[M]-	134.07486	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe