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

9
Patents

192.01982 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02710 130.9
[M+Na]+ 215.00904 140.6
[M-H]- 191.01254 129.9
[M+NH4]+ 210.05364 150.5
[M+K]+ 230.98298 138.0
[M+H-H2O]+ 175.01708 122.2
[M+HCOO]- 237.01802 149.9
[M+CH3COO]- 251.03367 184.6
[M+Na-2H]- 212.99449 133.5
[M]+ 192.01927 125.9
[M]- 192.02037 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