CID 114346575

1602871-83-9

Structural Information

Molecular Formula

C₁₂H₁₃FO₂

SMILES

CC1=C(C=CC(=C1)F)CC2(CC2)C(=O)O

InChI

InChI=1S/C12H13FO2/c1-8-6-10(13)3-2-9(8)7-12(4-5-12)11(14)15/h2-3,6H,4-5,7H2,1H3,(H,14,15)

InChIKey

XOMWZAUOVHNMTN-UHFFFAOYSA-N

Compound name

1-[(4-fluoro-2-methylphenyl)methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 208.08995 Da
Monoisotopic Mass: 2.5
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	140.3
[M+Na]+	231.079168	150.4
[M-H]-	207.082674	145.9
[M+NH4]+	226.123773	155.9
[M+K]+	247.053108	147.3
[M+H-H2O]+	191.087210	134.3
[M+HCOO]-	253.088151	161.2
[M+CH3COO]-	267.103801	187.9
[M+Na-2H]-	229.064616	145.2
[M]+	208.08940142	142.3
[M]-	208.09049858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe