CID 42626120

1050497-15-8

Structural Information

Molecular Formula

C₈H₁₃FO₂

SMILES

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

InChI

InChI=1S/C8H13FO2/c1-6(2)7(3,4)8(6,9)5(10)11/h1-4H3,(H,10,11)

InChIKey

IYDNHVXGWUUYCV-UHFFFAOYSA-N

Compound name

1-fluoro-2,2,3,3-tetramethylcyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 160.08995 Da
Monoisotopic Mass: 2.2
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]+	161.097226	127.7
[M+Na]+	183.079168	139.5
[M-H]-	159.082674	131.4
[M+NH4]+	178.123773	149.3
[M+K]+	199.053108	139.5
[M+H-H2O]+	143.087210	126.1
[M+HCOO]-	205.088151	147.2
[M+CH3COO]-	219.103801	180.7
[M+Na-2H]-	181.064616	134.8
[M]+	160.08940142	131.9
[M]-	160.09049858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe