CID 6433654

Acrylophenone, 3,4'-dichloro-, (e)-

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 136.1
[M+Na]+ 222.96879 146.1
[M-H]- 198.97229 139.3
[M+NH4]+ 218.01339 156.8
[M+K]+ 238.94273 140.4
[M+H-H2O]+ 182.97683 132.5
[M+HCOO]- 244.97777 150.7
[M+CH3COO]- 258.99342 181.6
[M+Na-2H]- 220.95424 141.3
[M]+ 199.97902 138.8
[M]- 199.98012 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe