CID 91658547

1352208-84-4

Structural Information

Molecular Formula
C8H4ClF3O
SMILES
C1=C(C=C(C=C1F)Cl)C(=O)C(F)F
InChI
InChI=1S/C8H4ClF3O/c9-5-1-4(2-6(10)3-5)7(13)8(11)12/h1-3,8H
InChIKey
CJVBRCXTNRFLAD-UHFFFAOYSA-N
Compound name
1-(3-chloro-5-fluorophenyl)-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.99028 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99756 132.2
[M+Na]+ 230.97950 142.7
[M-H]- 206.98300 132.5
[M+NH4]+ 226.02410 152.2
[M+K]+ 246.95344 138.5
[M+H-H2O]+ 190.98754 125.4
[M+HCOO]- 252.98848 148.0
[M+CH3COO]- 267.00413 185.6
[M+Na-2H]- 228.96495 135.2
[M]+ 207.98973 130.7
[M]- 207.99083 130.7
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.