CID 11424072

1-(4-chlorophenyl)-2,2-difluoroethanone

Structural Information

Molecular Formula
C8H5ClF2O
SMILES
C1=CC(=CC=C1C(=O)C(F)F)Cl
InChI
InChI=1S/C8H5ClF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,8H
InChIKey
UVQWPRFEOFCDLY-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.9997 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00698 130.7
[M+Na]+ 212.98892 140.2
[M-H]- 188.99242 132.0
[M+NH4]+ 208.03352 151.2
[M+K]+ 228.96286 136.4
[M+H-H2O]+ 172.99696 124.6
[M+HCOO]- 234.99790 147.5
[M+CH3COO]- 249.01355 181.6
[M+Na-2H]- 210.97437 134.9
[M]+ 189.99915 129.9
[M]- 190.00025 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe