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

133
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

literature stripe

Patent stripe

patents stripe