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]+ 234.11003 149.5
[M+Na]+ 256.09197 156.5
[M-H]- 232.09547 148.6
[M+NH4]+ 251.13657 166.9
[M+K]+ 272.06591 153.7
[M+H-H2O]+ 216.10001 140.9
[M+HCOO]- 278.10095 168.2
[M+CH3COO]- 292.11660 193.5
[M+Na-2H]- 254.07742 152.7
[M]+ 233.10220 145.3
[M]- 233.10330 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.