CID 23395147

1420977-70-3

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]+ 273.070876 153.3
[M+Na]+ 295.052818 163.1
[M-H]- 271.056324 149.7
[M+NH4]+ 290.097423 170.0
[M+K]+ 311.026758 159.5
[M+H-H2O]+ 255.060860 143.0
[M+HCOO]- 317.061801 167.7
[M+CH3COO]- 331.077451 198.2
[M+Na-2H]- 293.038266 156.8
[M]+ 272.06305142 147.4
[M]- 272.06414858 147.4
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