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]+ 221.089626 143.5
[M+Na]+ 243.071568 151.2
[M-H]- 219.075074 141.7
[M+NH4]+ 238.116173 160.7
[M+K]+ 259.045508 147.5
[M+H-H2O]+ 203.079610 135.2
[M+HCOO]- 265.080551 163.3
[M+CH3COO]- 279.096201 190.3
[M+Na-2H]- 241.057016 148.1
[M]+ 220.08180142 137.0
[M]- 220.08289858 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