CID 58823493

1896752-94-5

Structural Information

Molecular Formula

C₉H₁₁F₃O₂

SMILES

C1CC2CC1CC2(C(=O)O)C(F)(F)F

InChI

InChI=1S/C9H11F3O2/c10-9(11,12)8(7(13)14)4-5-1-2-6(8)3-5/h5-6H,1-4H2,(H,13,14)

InChIKey

RFPCQKBCFSEPOA-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 208.07112 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]+	209.07840	143.5
[M+Na]+	231.06034	151.4
[M-H]-	207.06384	141.3
[M+NH4]+	226.10494	168.7
[M+K]+	247.03428	148.7
[M+H-H2O]+	191.06838	138.6
[M+HCOO]-	253.06932	158.1
[M+CH3COO]-	267.08497	181.5
[M+Na-2H]-	229.04579	146.2
[M]+	208.07057	137.6
[M]-	208.07167	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe