CID 16227136

220675-94-5

Structural Information

Molecular Formula
C10H11F3O
SMILES
CC1=CC(=CC(=C1)C(C(F)(F)F)O)C
InChI
InChI=1S/C10H11F3O/c1-6-3-7(2)5-8(4-6)9(14)10(11,12)13/h3-5,9,14H,1-2H3
InChIKey
DQTXEAKXIGCGEJ-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-2,2,2-trifluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

204.0762 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08348 148.2
[M+Na]+ 227.06542 157.4
[M+NH4]+ 222.11002 154.0
[M+K]+ 243.03936 152.5
[M-H]- 203.06892 145.1
[M+Na-2H]- 225.05087 151.7
[M]+ 204.07565 148.4
[M]- 204.07675 148.4
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