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]+ 234.110026 149.3
[M+Na]+ 256.091968 154.9
[M-H]- 232.095474 147.1
[M+NH4]+ 251.136573 166.0
[M+K]+ 272.065908 151.6
[M+H-H2O]+ 216.100010 140.7
[M+HCOO]- 278.100951 167.2
[M+CH3COO]- 292.116601 190.4
[M+Na-2H]- 254.077416 153.8
[M]+ 233.10220142 143.9
[M]- 233.10329858 143.9
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.