CID 4962037

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

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
CC(C(=O)C1=CC=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKey
YQBPDHQJIIDKEO-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-chlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

201.99522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 137.8
[M+Na]+ 224.98444 152.4
[M+NH4]+ 220.02904 147.3
[M+K]+ 240.95838 145.0
[M-H]- 200.98794 140.0
[M+Na-2H]- 222.96989 145.3
[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