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

literature stripe

Patent stripe

patents stripe