CID 12503715

1-ethoxy-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C9H9F3O
SMILES
CCOC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C9H9F3O/c1-2-13-8-5-3-7(4-6-8)9(10,11)12/h3-6H,2H2,1H3
InChIKey
OUOOHQJBDVNKEP-UHFFFAOYSA-N
Compound name
1-ethoxy-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

190.06055 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06783 143.5
[M+Na]+ 213.04977 153.4
[M+NH4]+ 208.09437 149.9
[M+K]+ 229.02371 147.5
[M-H]- 189.05327 141.0
[M+Na-2H]- 211.03522 148.4
[M]+ 190.06000 144.1
[M]- 190.06110 144.1
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