CID 81060

Einecs 229-511-9

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
CC(=O)CC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5H,4H2,1H3
InChIKey
AJUAASWQUWIMHM-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

201.99522 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 136.1
[M+Na]+ 224.98444 146.6
[M-H]- 200.98794 139.6
[M+NH4]+ 220.02904 157.0
[M+K]+ 240.95838 141.6
[M+H-H2O]+ 184.99248 132.7
[M+HCOO]- 246.99342 150.5
[M+CH3COO]- 261.00907 184.2
[M+Na-2H]- 222.96989 140.7
[M]+ 201.99467 139.9
[M]- 201.99577 139.9
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