CID 6433654

Trans-3,4'-dichloroacrylophenone

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1=CC(=CC=C1C(=O)/C=C/Cl)Cl
InChI
InChI=1S/C9H6Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-6H/b6-5+
InChIKey
DSLXRANAPTYXPW-AATRIKPKSA-N
Compound name
(E)-3-chloro-1-(4-chlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

199.97957 Da
Monoisotopic Mass

3.1
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.

Literature stripe

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Patent stripe

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