CID 464520

1-chloro-3-(4-chlorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
C1=CC(=CC=C1CC(=O)CCl)Cl
InChI
InChI=1S/C9H8Cl2O/c10-6-9(12)5-7-1-3-8(11)4-2-7/h1-4H,5-6H2
InChIKey
ABTYPOQRRMEIMH-UHFFFAOYSA-N
Compound name
1-chloro-3-(4-chlorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

201.99522 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 137.7
[M+Na]+ 224.98444 152.6
[M+NH4]+ 220.02904 147.3
[M+K]+ 240.95838 144.4
[M-H]- 200.98794 140.1
[M+Na-2H]- 222.96989 145.5
[M]+ 201.99467 141.2
[M]- 201.99577 141.2
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