CID 14473049

2-((4-amino-2-(trifluoromethyl)phenyl)amino)ethanol

Structural Information

Molecular Formula
C9H11F3N2O
SMILES
C1=CC(=C(C=C1N)C(F)(F)F)NCCO
InChI
InChI=1S/C9H11F3N2O/c10-9(11,12)7-5-6(13)1-2-8(7)14-3-4-15/h1-2,5,14-15H,3-4,13H2
InChIKey
CPAYSTWHLBHZBZ-UHFFFAOYSA-N
Compound name
2-[4-amino-2-(trifluoromethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

220.08235 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08963 143.5
[M+Na]+ 243.07157 151.2
[M-H]- 219.07507 141.7
[M+NH4]+ 238.11617 160.7
[M+K]+ 259.04551 147.5
[M+H-H2O]+ 203.07961 135.2
[M+HCOO]- 265.08055 163.3
[M+CH3COO]- 279.09620 190.3
[M+Na-2H]- 241.05702 148.1
[M]+ 220.08180 137.0
[M]- 220.08290 137.0
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