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

470
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 131.5
[M+Na]+ 212.98892 140.8
[M-H]- 188.99242 132.7
[M+NH4]+ 208.03352 151.9
[M+K]+ 228.96286 136.9
[M+H-H2O]+ 172.99696 125.6
[M+HCOO]- 234.99790 147.7
[M+CH3COO]- 249.01355 179.9
[M+Na-2H]- 210.97437 138.2
[M]+ 189.99915 130.5
[M]- 190.00025 130.5
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