CID 6285114

1335135-71-1

Structural Information

Molecular Formula
C15H8Cl4O
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H8Cl4O/c16-10-3-1-9(13(18)7-10)2-6-15(20)12-5-4-11(17)8-14(12)19/h1-8H/b6-2+
InChIKey
GLTVNVIHTHMZTN-QHHAFSJGSA-N
Compound name
(E)-1,3-bis(2,4-dichlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

343.93292 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.94020 169.1
[M+Na]+ 366.92214 179.8
[M-H]- 342.92564 172.5
[M+NH4]+ 361.96674 183.9
[M+K]+ 382.89608 171.7
[M+H-H2O]+ 326.93018 164.8
[M+HCOO]- 388.93112 171.9
[M+CH3COO]- 402.94677 208.7
[M+Na-2H]- 364.90759 168.9
[M]+ 343.93237 172.4
[M]- 343.93347 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.