CID 28413664

2-[4-amino-3-(trifluoromethyl)phenoxy]ethan-1-ol

Structural Information

Molecular Formula
C9H10F3NO2
SMILES
C1=CC(=C(C=C1OCCO)C(F)(F)F)N
InChI
InChI=1S/C9H10F3NO2/c10-9(11,12)7-5-6(15-4-3-14)1-2-8(7)13/h1-2,5,14H,3-4,13H2
InChIKey
LLWIMKXVVRACGD-UHFFFAOYSA-N
Compound name
2-[4-amino-3-(trifluoromethyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

221.06636 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.073636 143.0
[M+Na]+ 244.055578 151.6
[M-H]- 220.059084 141.4
[M+NH4]+ 239.100183 160.5
[M+K]+ 260.029518 148.5
[M+H-H2O]+ 204.063620 135.0
[M+HCOO]- 266.064561 162.1
[M+CH3COO]- 280.080211 187.3
[M+Na-2H]- 242.041026 147.4
[M]+ 221.06581142 138.7
[M]- 221.06690858 138.7
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

patents stripe