CID 3007404

104941-05-1

Structural Information

Molecular Formula
C15H8Cl4O
SMILES
C=C(C1=C(C=C(C=C1)Cl)Cl)C(=O)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H8Cl4O/c1-8(11-4-2-9(16)6-13(11)18)15(20)12-5-3-10(17)7-14(12)19/h2-7H,1H2
InChIKey
LTHSSAXQYWUZSB-UHFFFAOYSA-N
Compound name
1,2-bis(2,4-dichlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

343.93292 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.94020 167.1
[M+Na]+ 366.92214 177.4
[M-H]- 342.92564 170.6
[M+NH4]+ 361.96674 181.8
[M+K]+ 382.89608 169.8
[M+H-H2O]+ 326.93018 163.1
[M+HCOO]- 388.93112 169.1
[M+CH3COO]- 402.94677 210.1
[M+Na-2H]- 364.90759 166.1
[M]+ 343.93237 170.1
[M]- 343.93347 170.1
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