CID 74438

1-methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

132
Patents

208.05113 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05841 137.7
[M+Na]+ 231.04035 146.4
[M-H]- 207.04385 136.4
[M+NH4]+ 226.08495 156.6
[M+K]+ 247.01429 144.2
[M+H-H2O]+ 191.04839 129.0
[M+HCOO]- 253.04933 155.6
[M+CH3COO]- 267.06498 186.9
[M+Na-2H]- 229.02580 142.3
[M]+ 208.05058 133.5
[M]- 208.05168 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