CID 116891

Methanone, [3,4-bis(dichloromethyl)phenyl](3,5-dichlorophenyl)-

Structural Information

Molecular Formula
C15H8Cl6O
SMILES
C1=CC(=C(C=C1C(=O)C2=CC(=CC(=C2)Cl)Cl)C(Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C15H8Cl6O/c16-9-3-8(4-10(17)6-9)13(22)7-1-2-11(14(18)19)12(5-7)15(20)21/h1-6,14-15H
InChIKey
PNCBAJWNFORERH-UHFFFAOYSA-N
Compound name
[3,4-bis(dichloromethyl)phenyl]-(3,5-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.87064 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.87792 179.8
[M+Na]+ 436.85986 187.1
[M-H]- 412.86336 178.5
[M+NH4]+ 431.90446 189.9
[M+K]+ 452.83380 181.9
[M+H-H2O]+ 396.86790 176.3
[M+HCOO]- 458.86884 170.2
[M+CH3COO]- 472.88449 222.1
[M+Na-2H]- 434.84531 174.6
[M]+ 413.87009 179.0
[M]- 413.87119 179.0
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.