CID 5702880

2-chlorocinnamoyl chloride

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1=CC=C(C(=C1)/C=C/C(=O)Cl)Cl
InChI
InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H/b6-5+
InChIKey
ZAUFNZFFWDQKPL-AATRIKPKSA-N
Compound name
(E)-3-(2-chlorophenyl)prop-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

199.97957 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98685 137.1
[M+Na]+ 222.96879 152.0
[M+NH4]+ 218.01339 146.4
[M+K]+ 238.94273 143.8
[M-H]- 198.97229 139.2
[M+Na-2H]- 220.95424 144.7
[M]+ 199.97902 140.4
[M]- 199.98012 140.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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