CID 2782823

2,2-difluorocyclopropanecarboxylic acid

Structural Information

Molecular Formula

C₄H₄F₂O₂

SMILES

C1C(C1(F)F)C(=O)O

InChI

InChI=1S/C4H4F2O2/c5-4(6)1-2(4)3(7)8/h2H,1H2,(H,7,8)

InChIKey

KMLMOVWSQPHQME-UHFFFAOYSA-N

Compound name

2,2-difluorocyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1615
Patents: 122.01794 Da
Monoisotopic Mass: 0.6
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]+	123.02522	127.1
[M+Na]+	145.00716	136.6
[M+NH4]+	140.05176	135.2
[M+K]+	160.98110	132.8
[M-H]-	121.01066	130.8
[M+Na-2H]-	142.99261	133.6
[M]+	122.01739	130.3
[M]-	122.01849	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe