CID 10035616

156021-07-7

Structural Information

Molecular Formula

C₁₀H₈F₂O₂

SMILES

C1C(C1(F)F)(C2=CC=CC=C2)C(=O)O

InChI

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

InChIKey

QXRNDRDZDULUAG-UHFFFAOYSA-N

Compound name

2,2-difluoro-1-phenylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 198.04924 Da
Monoisotopic Mass: 2.0
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]+	199.05652	134.8
[M+Na]+	221.03846	145.6
[M-H]-	197.04196	139.4
[M+NH4]+	216.08306	152.3
[M+K]+	237.01240	143.5
[M+H-H2O]+	181.04650	128.9
[M+HCOO]-	243.04744	155.0
[M+CH3COO]-	257.06309	183.5
[M+Na-2H]-	219.02391	141.8
[M]+	198.04869	135.1
[M]-	198.04979	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe