CID 5011246

2-methoxy-5-(trifluoromethoxy)benzyl alcohol

Structural Information

Molecular Formula
C9H9F3O3
SMILES
COC1=C(C=C(C=C1)OC(F)(F)F)CO
InChI
InChI=1S/C9H9F3O3/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-4,13H,5H2,1H3
InChIKey
NXUXBQMYALBYGH-UHFFFAOYSA-N
Compound name
[2-methoxy-5-(trifluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

222.05038 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05766 141.5
[M+Na]+ 245.03960 150.8
[M-H]- 221.04310 140.5
[M+NH4]+ 240.08420 159.6
[M+K]+ 261.01354 148.8
[M+H-H2O]+ 205.04764 133.7
[M+HCOO]- 267.04858 160.4
[M+CH3COO]- 281.06423 185.0
[M+Na-2H]- 243.02505 146.8
[M]+ 222.04983 140.5
[M]- 222.05093 140.5
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