CID 74765492

2,6-dimethyl-4-(trifluoromethoxy)phenol

Structural Information

Molecular Formula
C9H9F3O2
SMILES
CC1=CC(=CC(=C1O)C)OC(F)(F)F
InChI
InChI=1S/C9H9F3O2/c1-5-3-7(14-9(10,11)12)4-6(2)8(5)13/h3-4,13H,1-2H3
InChIKey
PIXJNFDTQPEZBN-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.05547 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06275 137.7
[M+Na]+ 229.04469 148.1
[M-H]- 205.04819 137.1
[M+NH4]+ 224.08929 156.9
[M+K]+ 245.01863 145.6
[M+H-H2O]+ 189.05273 130.5
[M+HCOO]- 251.05367 156.4
[M+CH3COO]- 265.06932 184.2
[M+Na-2H]- 227.03014 142.3
[M]+ 206.05492 135.6
[M]- 206.05602 135.6
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

No patent data available for this compound.