CID 256877

2-fluoro-4-methylpentanoic acid

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

CC(C)CC(C(=O)O)F

InChI

InChI=1S/C6H11FO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)

InChIKey

XJSHQHONRQJNKY-UHFFFAOYSA-N

Compound name

2-fluoro-4-methylpentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 134.07431 Da
Monoisotopic Mass: 1.9
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	128.7
[M+Na]+	157.06353	136.8
[M+NH4]+	152.10813	135.1
[M+K]+	173.03747	133.5
[M-H]-	133.06703	125.3
[M+Na-2H]-	155.04898	130.2
[M]+	134.07376	128.4
[M]-	134.07486	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe