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]+ 220.99308 138.1
[M+Na]+ 242.97502 148.6
[M-H]- 218.97852 140.1
[M+NH4]+ 238.01962 158.1
[M+K]+ 258.94896 143.1
[M+H-H2O]+ 202.98306 133.7
[M+HCOO]- 264.98400 151.4
[M+CH3COO]- 278.99965 186.8
[M+Na-2H]- 240.96047 142.1
[M]+ 219.98525 140.8
[M]- 219.98635 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.