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

56
Patents

201.99522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.002496 136.3
[M+Na]+ 224.984438 145.6
[M-H]- 200.987944 139.6
[M+NH4]+ 220.029043 156.8
[M+K]+ 240.958378 141.0
[M+H-H2O]+ 184.992480 132.8
[M+HCOO]- 246.993421 149.8
[M+CH3COO]- 261.009071 183.9
[M+Na-2H]- 222.969886 140.4
[M]+ 201.99467142 139.2
[M]- 201.99576858 139.2
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