CID 68800415

1314397-71-1

Structural Information

Molecular Formula

C₅H₆F₂O₂

SMILES

C1CC1(C(F)F)C(=O)O

InChI

InChI=1S/C5H6F2O2/c6-3(7)5(1-2-5)4(8)9/h3H,1-2H2,(H,8,9)

InChIKey

WVZJZPVSPHHGPJ-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 102
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	131.7
[M+Na]+	159.02280	140.3
[M+NH4]+	154.06740	139.5
[M+K]+	174.99674	136.8
[M-H]-	135.02630	135.1
[M+Na-2H]-	157.00825	137.8
[M]+	136.03303	134.6
[M]-	136.03413	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe