CID 118937880

1886967-65-2

Structural Information

Molecular Formula

C₈H₉F₃O₂

SMILES

C1C2(CC1(C2)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C8H9F3O2/c9-8(10,11)7-2-6(3-7,4-7)1-5(12)13/h1-4H2,(H,12,13)

InChIKey

GZENETPOWWTEMZ-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 194.05547 Da
Monoisotopic Mass: 1.7
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]+	195.06275	164.3
[M+Na]+	217.04469	168.5
[M-H]-	193.04819	163.8
[M+NH4]+	212.08929	169.4
[M+K]+	233.01863	173.2
[M+H-H2O]+	177.05273	150.7
[M+HCOO]-	239.05367	172.4
[M+CH3COO]-	253.06932	208.5
[M+Na-2H]-	215.03014	168.8
[M]+	194.05492	185.4
[M]-	194.05602	185.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe