CID 737156

1,4-bis(2,2,2-trifluoroethoxy)benzene

Structural Information

Molecular Formula
C10H8F6O2
SMILES
C1=CC(=CC=C1OCC(F)(F)F)OCC(F)(F)F
InChI
InChI=1S/C10H8F6O2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16/h1-4H,5-6H2
InChIKey
ZHUBFESHPMGIDZ-UHFFFAOYSA-N
Compound name
1,4-bis(2,2,2-trifluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

161
Patents

274.04285 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05013 152.3
[M+Na]+ 297.03207 161.5
[M-H]- 273.03557 148.4
[M+NH4]+ 292.07667 168.5
[M+K]+ 313.00601 158.6
[M+H-H2O]+ 257.04011 141.7
[M+HCOO]- 319.04105 167.3
[M+CH3COO]- 333.05670 196.0
[M+Na-2H]- 295.01752 157.0
[M]+ 274.04230 147.1
[M]- 274.04340 147.1
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.