CID 43260409

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

Structural Information

Molecular Formula
C9H7Cl2FO
SMILES
C1=CC(=C(C=C1F)Cl)CC(=O)CCl
InChI
InChI=1S/C9H7Cl2FO/c10-5-8(13)3-6-1-2-7(12)4-9(6)11/h1-2,4H,3,5H2
InChIKey
YAMPUMFLGKBNFQ-UHFFFAOYSA-N
Compound name
1-chloro-3-(2-chloro-4-fluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.9858 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.993076 138.1
[M+Na]+ 242.975018 148.6
[M-H]- 218.978524 140.1
[M+NH4]+ 238.019623 158.1
[M+K]+ 258.948958 143.1
[M+H-H2O]+ 202.983060 133.7
[M+HCOO]- 264.984001 151.4
[M+CH3COO]- 278.999651 186.8
[M+Na-2H]- 240.960466 142.1
[M]+ 219.98525142 140.8
[M]- 219.98634858 140.8
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

No patent data available for this compound.