CID 137942236

2260931-09-5

Structural Information

Molecular Formula

C₆H₁₀F₂O₂

SMILES

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

InChI

InChI=1S/C6H10F2O2/c1-5(2,7)6(3,8)4(9)10/h1-3H3,(H,9,10)

InChIKey

JHZYGWWMPWUQND-UHFFFAOYSA-N

Compound name

2,3-difluoro-2,3-dimethylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.06488 Da
Monoisotopic Mass: 1.4
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]+	153.07216	127.6
[M+Na]+	175.05410	135.4
[M-H]-	151.05760	124.4
[M+NH4]+	170.09870	148.2
[M+K]+	191.02804	135.1
[M+H-H2O]+	135.06214	122.8
[M+HCOO]-	197.06308	144.4
[M+CH3COO]-	211.07873	174.6
[M+Na-2H]-	173.03955	133.4
[M]+	152.06433	125.0
[M]-	152.06543	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.