CID 5354261

Cinnamoyl chloride

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C9H7ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

InChIKey

WOGITNXCNOTRLK-VOTSOKGWSA-N

Compound name

(E)-3-phenylprop-2-enoyl chloride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 9019
Patents: 166.01854 Da
Monoisotopic Mass: 3.1
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]+	167.02582	131.6
[M+Na]+	189.00776	145.8
[M+NH4]+	184.05236	141.0
[M+K]+	204.98170	138.0
[M-H]-	165.01126	133.9
[M+Na-2H]-	186.99321	139.6
[M]+	166.01799	134.6
[M]-	166.01909	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe