CID 653577

333309-24-3

Structural Information

Molecular Formula

C₉H₉F₃N₂O₂

SMILES

C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)O

InChI

InChI=1S/C9H9F3N2O2/c10-9(11,12)8-5-2-1-3-6(5)14(13-8)4-7(15)16/h1-4H2,(H,15,16)

InChIKey

JJVIKYVCIPXTOK-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 19
Patents: 234.06161 Da
Monoisotopic Mass: 1.5
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]+	235.06889	151.9
[M+Na]+	257.05083	157.6
[M+NH4]+	252.09543	156.0
[M+K]+	273.02477	157.9
[M-H]-	233.05433	145.7
[M+Na-2H]-	255.03628	151.6
[M]+	234.06106	150.3
[M]-	234.06216	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe