CID 18924169

Schembl5748868

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

CCCC(C)(C(=O)O)F

InChI

InChI=1S/C6H11FO2/c1-3-4-6(2,7)5(8)9/h3-4H2,1-2H3,(H,8,9)

InChIKey

DPJCHQMYJAOUDX-UHFFFAOYSA-N

Compound name

2-fluoro-2-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 134.07431 Da
Monoisotopic Mass: 1.6
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	126.3
[M+Na]+	157.06353	133.6
[M-H]-	133.06703	124.1
[M+NH4]+	152.10813	147.6
[M+K]+	173.03747	133.3
[M+H-H2O]+	117.07157	121.8
[M+HCOO]-	179.07251	145.7
[M+CH3COO]-	193.08816	171.3
[M+Na-2H]-	155.04898	131.7
[M]+	134.07376	125.5
[M]-	134.07486	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe