CID 22496543

(2,2,3,3-tetrafluoro-1,4-benzodioxan-6-yl)ethan-1-one

Structural Information

Molecular Formula
C10H6F4O3
SMILES
CC(=O)C1=CC2=C(C=C1)OC(C(O2)(F)F)(F)F
InChI
InChI=1S/C10H6F4O3/c1-5(15)6-2-3-7-8(4-6)17-10(13,14)9(11,12)16-7/h2-4H,1H3
InChIKey
XCSRDHYEONHVMI-UHFFFAOYSA-N
Compound name
1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

250.0253 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03258 144.5
[M+Na]+ 273.01452 156.1
[M-H]- 249.01802 146.2
[M+NH4]+ 268.05912 164.4
[M+K]+ 288.98846 155.9
[M+H-H2O]+ 233.02256 136.4
[M+HCOO]- 295.02350 159.4
[M+CH3COO]- 309.03915 192.7
[M+Na-2H]- 270.99997 151.9
[M]+ 250.02475 142.3
[M]- 250.02585 142.3
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