CID 10396959

685-89-2

Structural Information

Molecular Formula

C₇H₁₁FO₂

SMILES

CCOC(=O)C(=C(C)C)F

InChI

InChI=1S/C7H11FO2/c1-4-10-7(9)6(8)5(2)3/h4H2,1-3H3

InChIKey

BNWNCVHANYORFN-UHFFFAOYSA-N

Compound name

ethyl 2-fluoro-3-methylbut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 146.07431 Da
Monoisotopic Mass: 2.2
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]+	147.08159	129.5
[M+Na]+	169.06353	136.5
[M-H]-	145.06703	128.6
[M+NH4]+	164.10813	150.9
[M+K]+	185.03747	136.7
[M+H-H2O]+	129.07157	124.3
[M+HCOO]-	191.07251	149.9
[M+CH3COO]-	205.08816	176.3
[M+Na-2H]-	167.04898	131.8
[M]+	146.07376	129.4
[M]-	146.07486	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe