CID 68137132

2418671-87-9

Structural Information

Molecular Formula

C₄H₃ClF₂O₂

SMILES

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

InChI

InChI=1S/C4H3ClF2O2/c5-3(2(8)9)1-4(3,6)7/h1H2,(H,8,9)

InChIKey

JPXOCSNCMUTQGZ-UHFFFAOYSA-N

Compound name

1-chloro-2,2-difluorocyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 155.97896 Da
Monoisotopic Mass: 1.1
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]+	156.98624	117.0
[M+Na]+	178.96818	129.1
[M-H]-	154.97168	118.9
[M+NH4]+	174.01278	137.1
[M+K]+	194.94212	126.8
[M+H-H2O]+	138.97622	114.0
[M+HCOO]-	200.97716	132.9
[M+CH3COO]-	214.99281	174.4
[M+Na-2H]-	176.95363	124.5
[M]+	155.97841	119.2
[M]-	155.97951	119.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe