CID 112692723

653-15-6

Structural Information

Molecular Formula
C8H4F4O
SMILES
C1=CC(=C(C=C1F)C(=O)C(F)F)F
InChI
InChI=1S/C8H4F4O/c9-4-1-2-6(10)5(3-4)7(13)8(11)12/h1-3,8H
InChIKey
UXFHPIWNFUQEJS-UHFFFAOYSA-N
Compound name
1-(2,5-difluorophenyl)-2,2-difluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.01982 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.027096 130.9
[M+Na]+ 215.009038 140.6
[M-H]- 191.012544 129.9
[M+NH4]+ 210.053643 150.5
[M+K]+ 230.982978 138.0
[M+H-H2O]+ 175.017080 122.2
[M+HCOO]- 237.018021 149.9
[M+CH3COO]- 251.033671 184.6
[M+Na-2H]- 212.994486 133.5
[M]+ 192.01927142 125.9
[M]- 192.02036858 125.9
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

patents stripe