CID 118850422

1-(4-chloro-2,3-difluorophenyl)ethanone

Structural Information

Molecular Formula
C8H5ClF2O
SMILES
CC(=O)C1=C(C(=C(C=C1)Cl)F)F
InChI
InChI=1S/C8H5ClF2O/c1-4(12)5-2-3-6(9)8(11)7(5)10/h2-3H,1H3
InChIKey
XTJSSCLJGUICHV-UHFFFAOYSA-N
Compound name
1-(4-chloro-2,3-difluorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.9997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00698 134.1
[M+Na]+ 212.98892 147.0
[M+NH4]+ 208.03352 141.9
[M+K]+ 228.96286 140.6
[M-H]- 188.99242 133.6
[M+Na-2H]- 210.97437 140.0
[M]+ 189.99915 136.0
[M]- 190.00025 136.0
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.