CID 238296

2-chloro-2,2-difluoroacetophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

458
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 135.4
[M+Na]+ 212.98892 146.9
[M+NH4]+ 208.03352 143.0
[M+K]+ 228.96286 141.0
[M-H]- 188.99242 134.1
[M+Na-2H]- 210.97437 141.8
[M]+ 189.99915 136.8
[M]- 190.00025 136.8
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