CID 80146562

1-chloro-3-(2,3-difluorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H7ClF2O
SMILES
C1=CC(=C(C(=C1)F)F)CC(=O)CCl
InChI
InChI=1S/C9H7ClF2O/c10-5-7(13)4-6-2-1-3-8(11)9(6)12/h1-3H,4-5H2
InChIKey
GSZCMZJXEFUZHX-UHFFFAOYSA-N
Compound name
1-chloro-3-(2,3-difluorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.01535 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02263 138.5
[M+Na]+ 227.00457 150.9
[M+NH4]+ 222.04917 146.1
[M+K]+ 242.97851 144.0
[M-H]- 203.00807 137.9
[M+Na-2H]- 224.99002 144.3
[M]+ 204.01480 140.2
[M]- 204.01590 140.2
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

No patent data available for this compound.