CID 42614690

1-(benzylamino)-4,4,4-trifluorobutan-2-ol

Structural Information

Molecular Formula
C11H14F3NO
SMILES
C1=CC=C(C=C1)CNCC(CC(F)(F)F)O
InChI
InChI=1S/C11H14F3NO/c12-11(13,14)6-10(16)8-15-7-9-4-2-1-3-5-9/h1-5,10,15-16H,6-8H2
InChIKey
FIPYXVWKZLCGAE-UHFFFAOYSA-N
Compound name
1-(benzylamino)-4,4,4-trifluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10275 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11003 152.8
[M+Na]+ 256.09197 159.9
[M+NH4]+ 251.13657 157.9
[M+K]+ 272.06591 155.0
[M-H]- 232.09547 149.6
[M+Na-2H]- 254.07742 156.3
[M]+ 233.10220 152.5
[M]- 233.10330 152.5
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.