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 158.7
[M+Na]+ 275.03017 165.7
[M+NH4]+ 270.07477 162.2
[M+K]+ 291.00411 161.8
[M-H]- 251.03367 153.6
[M+Na-2H]- 273.01562 160.0
[M]+ 252.04040 157.7
[M]- 252.04150 157.7
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.