CID 2396546

1-[2,4-bis(difluoromethoxy)phenyl]ethan-1-one

Structural Information

Molecular Formula
C10H8F4O3
SMILES
CC(=O)C1=C(C=C(C=C1)OC(F)F)OC(F)F
InChI
InChI=1S/C10H8F4O3/c1-5(15)7-3-2-6(16-9(11)12)4-8(7)17-10(13)14/h2-4,9-10H,1H3
InChIKey
PGPIQACNLBOEMR-UHFFFAOYSA-N
Compound name
1-[2,4-bis(difluoromethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.04095 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04823 146.8
[M+Na]+ 275.03017 155.2
[M-H]- 251.03367 145.5
[M+NH4]+ 270.07477 163.8
[M+K]+ 291.00411 153.8
[M+H-H2O]+ 235.03821 137.3
[M+HCOO]- 297.03915 164.6
[M+CH3COO]- 311.05480 195.5
[M+Na-2H]- 273.01562 147.1
[M]+ 252.04040 144.8
[M]- 252.04150 144.8
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.