CID 11171628

95123-61-8

Structural Information

Molecular Formula

C₁₀H₇F₃O

SMILES

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

InChI

InChI=1S/C10H7F3O/c11-10(12,13)9-5-3-8(4-6-9)2-1-7-14/h1-7H/b2-1+

InChIKey

HYCDCKWWJCPUNT-OWOJBTEDSA-N

Compound name

(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
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	137.1
[M+Na]+	223.03412	146.4
[M-H]-	199.03762	137.1
[M+NH4]+	218.07872	156.5
[M+K]+	239.00806	142.7
[M+H-H2O]+	183.04216	129.3
[M+HCOO]-	245.04310	157.2
[M+CH3COO]-	259.05875	183.0
[M+Na-2H]-	221.01957	143.0
[M]+	200.04435	133.6
[M]-	200.04545	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe