CID 5373895

175136-82-0

Structural Information

Molecular Formula

C₁₀H₈ClFO

SMILES

CC(=O)/C=C/C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C10H8ClFO/c1-7(13)5-6-8-9(11)3-2-4-10(8)12/h2-6H,1H3/b6-5+

InChIKey

VZRBDBXFAKDNDJ-AATRIKPKSA-N

Compound name

(E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 198.02477 Da
Monoisotopic Mass: 2.8
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]+	199.03205	138.4
[M+Na]+	221.01399	152.0
[M+NH4]+	216.05859	146.7
[M+K]+	236.98793	144.5
[M-H]-	197.01749	139.2
[M+Na-2H]-	218.99944	144.8
[M]+	198.02422	140.8
[M]-	198.02532	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe