CID 10488238

262268-58-6

Structural Information

Molecular Formula

C₁₀H₇F₃O

SMILES

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

InChI

InChI=1S/C10H7F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1-7H/b4-2+

InChIKey

JMKMLIWUWJNVIG-DUXPYHPUSA-N

Compound name

(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 200.0449 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]+	201.05218	146.9
[M+Na]+	223.03412	156.7
[M+NH4]+	218.07872	152.5
[M+K]+	239.00806	150.3
[M-H]-	199.03762	143.9
[M+Na-2H]-	221.01957	151.2
[M]+	200.04435	147.1
[M]-	200.04545	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe