CID 45791045

915921-31-2

Structural Information

Molecular Formula

C₁₂H₁₃FO₂

SMILES

CC1(CC1(C2=CC=C(C=C2)F)C(=O)O)C

InChI

InChI=1S/C12H13FO2/c1-11(2)7-12(11,10(14)15)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,15)

InChIKey

RIOYANNPRFBSNF-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 208.08995 Da
Monoisotopic Mass: 2.7
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]+	209.097226	140.2
[M+Na]+	231.079168	151.1
[M-H]-	207.082674	146.3
[M+NH4]+	226.123773	157.8
[M+K]+	247.053108	149.1
[M+H-H2O]+	191.087210	135.5
[M+HCOO]-	253.088151	160.8
[M+CH3COO]-	267.103801	187.7
[M+Na-2H]-	229.064616	146.2
[M]+	208.08940142	142.9
[M]-	208.09049858	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe