CID 5706559

(e)-3-m-tolylacryloyl chloride

Structural Information

Molecular Formula
C10H9ClO
SMILES
CC1=CC(=CC=C1)/C=C/C(=O)Cl
InChI
InChI=1S/C10H9ClO/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-7H,1H3/b6-5+
InChIKey
YOBPHWLIGRZJAK-AATRIKPKSA-N
Compound name
(E)-3-(3-methylphenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

180.0342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04148 135.6
[M+Na]+ 203.02342 150.0
[M+NH4]+ 198.06802 144.8
[M+K]+ 218.99736 142.1
[M-H]- 179.02692 138.0
[M+Na-2H]- 201.00887 143.1
[M]+ 180.03365 138.6
[M]- 180.03475 138.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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