CID 23395147

[3,5-bis(trifluoromethyl)phenoxy]propane

Structural Information

Molecular Formula
C11H10F6O
SMILES
CCCOC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C11H10F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h4-6H,2-3H2,1H3
InChIKey
MQAXEOKVHDKGBQ-UHFFFAOYSA-N
Compound name
1-propoxy-3,5-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

272.0636 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07088 173.0
[M+Na]+ 295.05282 178.2
[M+NH4]+ 290.09742 175.2
[M+K]+ 311.02676 173.5
[M-H]- 271.05632 166.5
[M+Na-2H]- 293.03827 173.3
[M]+ 272.06305 171.6
[M]- 272.06415 171.6
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