CID 130837773

1803836-68-1

Structural Information

Molecular Formula
C8H5ClF2O2
SMILES
C1=C(C(=CC(=C1F)F)O)C(=O)CCl
InChI
InChI=1S/C8H5ClF2O2/c9-3-8(13)4-1-5(10)6(11)2-7(4)12/h1-2,12H,3H2
InChIKey
ZWPILJHXWSMNER-UHFFFAOYSA-N
Compound name
2-chloro-1-(4,5-difluoro-2-hydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99461 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00189 137.2
[M+Na]+ 228.98383 149.0
[M+NH4]+ 224.02843 144.0
[M+K]+ 244.95777 143.4
[M-H]- 204.98733 135.6
[M+Na-2H]- 226.96928 142.0
[M]+ 205.99406 138.4
[M]- 205.99516 138.4
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.