CID 735857

783-13-1

Structural Information

Molecular Formula

C₁₀H₇F₃O₃

SMILES

C1=CC(=CC=C1/C=C/C(=O)O)OC(F)(F)F

InChI

InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+

InChIKey

RNYVTJANWYBGPW-ZZXKWVIFSA-N

Compound name

(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 189
Patents: 232.03473 Da
Monoisotopic Mass: 3.0
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]+	233.04201	152.3
[M+Na]+	255.02395	160.3
[M+NH4]+	250.06855	156.4
[M+K]+	270.99789	156.0
[M-H]-	231.02745	147.6
[M+Na-2H]-	253.00940	154.9
[M]+	232.03418	151.7
[M]-	232.03528	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe