CID 118822833

[4-amino-2-(trifluoromethoxy)phenyl]methanol

Structural Information

Molecular Formula
C8H8F3NO2
SMILES
C1=CC(=C(C=C1N)OC(F)(F)F)CO
InChI
InChI=1S/C8H8F3NO2/c9-8(10,11)14-7-3-6(12)2-1-5(7)4-13/h1-3,13H,4,12H2
InChIKey
HHWKUNDGTJOHOL-UHFFFAOYSA-N
Compound name
[4-amino-2-(trifluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05072 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05800 138.3
[M+Na]+ 230.03994 147.3
[M-H]- 206.04344 136.9
[M+NH4]+ 225.08454 156.4
[M+K]+ 246.01388 144.5
[M+H-H2O]+ 190.04798 130.5
[M+HCOO]- 252.04892 157.8
[M+CH3COO]- 266.06457 184.2
[M+Na-2H]- 228.02539 143.3
[M]+ 207.05017 133.7
[M]- 207.05127 133.7
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.