CID 43188035

1019477-18-9

Structural Information

Molecular Formula
C11H14F3NO2
SMILES
CNCC(COC1=CC=CC=C1C(F)(F)F)O
InChI
InChI=1S/C11H14F3NO2/c1-15-6-8(16)7-17-10-5-3-2-4-9(10)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKey
BYKGDONZKFTWKH-UHFFFAOYSA-N
Compound name
1-(methylamino)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.09766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10494 152.2
[M+Na]+ 272.08688 158.7
[M-H]- 248.09038 150.4
[M+NH4]+ 267.13148 168.5
[M+K]+ 288.06082 155.9
[M+H-H2O]+ 232.09492 143.6
[M+HCOO]- 294.09586 170.3
[M+CH3COO]- 308.11151 193.6
[M+Na-2H]- 270.07233 156.1
[M]+ 249.09711 148.6
[M]- 249.09821 148.6
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.