CID 14695229

128073-33-6

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

CC1(CC1(F)F)C(=O)O

InChI

InChI=1S/C5H6F2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9)

InChIKey

HLFLYOQLHYYNLT-UHFFFAOYSA-N

Compound name

2,2-difluoro-1-methylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 136.03358 Da
Monoisotopic Mass: 0.9
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]+	137.04086	131.5
[M+Na]+	159.02280	141.0
[M+NH4]+	154.06740	140.8
[M+K]+	174.99674	135.5
[M-H]-	135.02630	135.4
[M+Na-2H]-	157.00825	139.3
[M]+	136.03303	134.9
[M]-	136.03413	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe