CID 65811455

29765-48-8

Structural Information

Molecular Formula

C₁₂H₁₁F₃O₂

SMILES

C1CC1(CC2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H11F3O2/c13-12(14,15)9-3-1-8(2-4-9)7-11(5-6-11)10(16)17/h1-4H,5-7H2,(H,16,17)

InChIKey

IVZCJCNCVMKKLC-UHFFFAOYSA-N

Compound name

1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.07112 Da
Monoisotopic Mass: 2.9
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]+	245.078396	143.8
[M+Na]+	267.060338	153.4
[M-H]-	243.063844	146.5
[M+NH4]+	262.104943	157.6
[M+K]+	283.034278	150.0
[M+H-H2O]+	227.068380	136.2
[M+HCOO]-	289.069321	161.1
[M+CH3COO]-	303.084971	191.8
[M+Na-2H]-	265.045786	149.0
[M]+	244.07057142	142.6
[M]-	244.07166858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.