CID 61698137

1-[(1-aminobutan-2-yl)oxy]-3-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C11H14F3NO
SMILES
CCC(CN)OC1=CC=CC(=C1)C(F)(F)F
InChI
InChI=1S/C11H14F3NO/c1-2-9(7-15)16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2,7,15H2,1H3
InChIKey
OQCKVOZOXALOGP-UHFFFAOYSA-N
Compound name
2-[3-(trifluoromethyl)phenoxy]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10275 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.110026 149.5
[M+Na]+ 256.091968 156.5
[M-H]- 232.095474 148.6
[M+NH4]+ 251.136573 166.9
[M+K]+ 272.065908 153.7
[M+H-H2O]+ 216.100010 140.9
[M+HCOO]- 278.100951 168.2
[M+CH3COO]- 292.116601 193.5
[M+Na-2H]- 254.077416 152.7
[M]+ 233.10220142 145.3
[M]- 233.10329858 145.3
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.