CID 74439

4-(1,1,2,2-tetrafluoroethoxy)toluene

Structural Information

Molecular Formula
C9H8F4O
SMILES
CC1=CC=C(C=C1)OC(C(F)F)(F)F
InChI
InChI=1S/C9H8F4O/c1-6-2-4-7(5-3-6)14-9(12,13)8(10)11/h2-5,8H,1H3
InChIKey
VACIXOPZIXUAKS-UHFFFAOYSA-N
Compound name
1-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

208.05113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058406 137.7
[M+Na]+ 231.040348 146.4
[M-H]- 207.043854 136.4
[M+NH4]+ 226.084953 156.6
[M+K]+ 247.014288 144.2
[M+H-H2O]+ 191.048390 129.0
[M+HCOO]- 253.049331 155.6
[M+CH3COO]- 267.064981 186.9
[M+Na-2H]- 229.025796 142.3
[M]+ 208.05058142 133.5
[M]- 208.05167858 133.5
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