CID 67765469

Benzenemethanol, 5-methyl-2-(trifluoromethoxy)-

Structural Information

Molecular Formula
C9H9F3O2
SMILES
CC1=CC(=C(C=C1)OC(F)(F)F)CO
InChI
InChI=1S/C9H9F3O2/c1-6-2-3-8(7(4-6)5-13)14-9(10,11)12/h2-4,13H,5H2,1H3
InChIKey
NRDALTWSSLVMLU-UHFFFAOYSA-N
Compound name
[5-methyl-2-(trifluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.05547 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.062746 138.4
[M+Na]+ 229.044688 147.8
[M-H]- 205.048194 137.4
[M+NH4]+ 224.089293 157.2
[M+K]+ 245.018628 145.2
[M+H-H2O]+ 189.052730 130.9
[M+HCOO]- 251.053671 157.1
[M+CH3COO]- 265.069321 183.0
[M+Na-2H]- 227.030136 143.6
[M]+ 206.05492142 135.9
[M]- 206.05601858 135.9
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