CID 309600

1-(3,4-dichlorophenoxy)propan-2-one

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
CC(=O)COC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O2/c1-6(12)5-13-7-2-3-8(10)9(11)4-7/h2-4H,5H2,1H3
InChIKey
OJGOOCTVMHMAQB-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenoxy)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

217.99013 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99741 138.9
[M+Na]+ 240.97935 149.3
[M-H]- 216.98285 142.4
[M+NH4]+ 236.02395 159.1
[M+K]+ 256.95329 144.9
[M+H-H2O]+ 200.98739 135.3
[M+HCOO]- 262.98833 153.5
[M+CH3COO]- 277.00398 186.2
[M+Na-2H]- 238.96480 143.5
[M]+ 217.98958 144.2
[M]- 217.99068 144.2
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

patents stripe