CID 72222185

4-ethyl-3-(trifluoromethyl)phenol

Structural Information

Molecular Formula
C9H9F3O
SMILES
CCC1=C(C=C(C=C1)O)C(F)(F)F
InChI
InChI=1S/C9H9F3O/c1-2-6-3-4-7(13)5-8(6)9(10,11)12/h3-5,13H,2H2,1H3
InChIKey
XXULHUABPZQROF-UHFFFAOYSA-N
Compound name
4-ethyl-3-(trifluoromethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

190.06055 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06783 143.8
[M+Na]+ 213.04977 153.5
[M+NH4]+ 208.09437 149.8
[M+K]+ 229.02371 148.0
[M-H]- 189.05327 140.8
[M+Na-2H]- 211.03522 147.9
[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

No literature data available for this compound.

Patent stripe

patents stripe