CID 71286374

1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methylpropan-1-one

Structural Information

Molecular Formula
C16H14F4O3
SMILES
CC(C)C(=O)C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F
InChI
InChI=1S/C16H14F4O3/c1-8(2)14(21)10-4-3-9-6-12(22-15(17)18)13(23-16(19)20)7-11(9)5-10/h3-8,15-16H,1-2H3
InChIKey
FBLAGBKISZSIDA-UHFFFAOYSA-N
Compound name
1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

330.08792 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09520 170.5
[M+Na]+ 353.07714 178.2
[M-H]- 329.08064 169.6
[M+NH4]+ 348.12174 185.2
[M+K]+ 369.05108 175.1
[M+H-H2O]+ 313.08518 160.1
[M+HCOO]- 375.08612 184.9
[M+CH3COO]- 389.10177 212.9
[M+Na-2H]- 351.06259 168.7
[M]+ 330.08737 169.2
[M]- 330.08847 169.2
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