CID 116890

Methanone, [4-(dichloromethyl)phenyl](2,5-dichlorophenyl)-

Structural Information

Molecular Formula
C14H8Cl4O
SMILES
C1=CC(=CC=C1C(Cl)Cl)C(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H8Cl4O/c15-10-5-6-12(16)11(7-10)13(19)8-1-3-9(4-2-8)14(17)18/h1-7,14H
InChIKey
KTZLQEBMZAMIHH-UHFFFAOYSA-N
Compound name
[4-(dichloromethyl)phenyl]-(2,5-dichlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

331.93292 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.94020 163.9
[M+Na]+ 354.92214 173.6
[M-H]- 330.92564 167.2
[M+NH4]+ 349.96674 178.8
[M+K]+ 370.89608 166.6
[M+H-H2O]+ 314.93018 159.8
[M+HCOO]- 376.93112 166.1
[M+CH3COO]- 390.94677 207.0
[M+Na-2H]- 352.90759 164.1
[M]+ 331.93237 166.9
[M]- 331.93347 166.9
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.