CID 24975876

[4-(2,2,2-trifluoroethoxy)phenyl]methanol

Structural Information

Molecular Formula
C9H9F3O2
SMILES
C1=CC(=CC=C1CO)OCC(F)(F)F
InChI
InChI=1S/C9H9F3O2/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4,13H,5-6H2
InChIKey
UPUNZBFRXMPBEE-UHFFFAOYSA-N
Compound name
[4-(2,2,2-trifluoroethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

206.05547 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06275 138.9
[M+Na]+ 229.04469 147.4
[M-H]- 205.04819 137.5
[M+NH4]+ 224.08929 157.4
[M+K]+ 245.01863 144.8
[M+H-H2O]+ 189.05273 131.2
[M+HCOO]- 251.05367 157.7
[M+CH3COO]- 265.06932 181.8
[M+Na-2H]- 227.03014 144.8
[M]+ 206.05492 136.1
[M]- 206.05602 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe