CID 21923971

1157561-73-3

Structural Information

Molecular Formula

C₁₀H₈F₂O₂

SMILES

C1C(C1C(=O)O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C10H8F2O2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)

InChIKey

CSLVZAGSOJLXCT-UHFFFAOYSA-N

Compound name

2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 198.04924 Da
Monoisotopic Mass: 1.8
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]+	199.056516	131.8
[M+Na]+	221.038458	142.8
[M-H]-	197.041964	136.3
[M+NH4]+	216.083063	146.0
[M+K]+	237.012398	138.7
[M+H-H2O]+	181.046500	124.2
[M+HCOO]-	243.047441	152.6
[M+CH3COO]-	257.063091	186.4
[M+Na-2H]-	219.023906	135.5
[M]+	198.04869142	131.9
[M]-	198.04978858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe