CID 10420314

2,2-difluoro-4-phenylbutanoic acid

Structural Information

Molecular Formula

C₁₀H₁₀F₂O₂

SMILES

C1=CC=C(C=C1)CCC(C(=O)O)(F)F

InChI

InChI=1S/C10H10F2O2/c11-10(12,9(13)14)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)

InChIKey

RNXIVWTWKFJRGM-UHFFFAOYSA-N

Compound name

2,2-difluoro-4-phenylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 200.06488 Da
Monoisotopic Mass: 2.8
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]+	201.07216	144.1
[M+Na]+	223.05410	153.6
[M+NH4]+	218.09870	150.2
[M+K]+	239.02804	148.6
[M-H]-	199.05760	141.7
[M+Na-2H]-	221.03955	148.7
[M]+	200.06433	144.5
[M]-	200.06543	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe