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: 185
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	119.5
[M+Na]+	159.02280	130.9
[M-H]-	135.02630	121.5
[M+NH4]+	154.06740	139.7
[M+K]+	174.99674	130.2
[M+H-H2O]+	119.03084	115.5
[M+HCOO]-	181.03178	139.4
[M+CH3COO]-	195.04743	173.6
[M+Na-2H]-	157.00825	126.7
[M]+	136.03303	120.4
[M]-	136.03413	120.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe