CID 134691056

3-(benzylamino)-1,1,1-trifluorobutan-2-ol hydrochloride

Structural Information

Molecular Formula
C11H14F3NO
SMILES
CC(C(C(F)(F)F)O)NCC1=CC=CC=C1
InChI
InChI=1S/C11H14F3NO/c1-8(10(16)11(12,13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10,15-16H,7H2,1H3
InChIKey
OMMMWADSOLDJTE-UHFFFAOYSA-N
Compound name
3-(benzylamino)-1,1,1-trifluorobutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.10275 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.110026 149.5
[M+Na]+ 256.091968 154.8
[M-H]- 232.095474 147.4
[M+NH4]+ 251.136573 166.0
[M+K]+ 272.065908 152.0
[M+H-H2O]+ 216.100010 141.0
[M+HCOO]- 278.100951 166.3
[M+CH3COO]- 292.116601 191.3
[M+Na-2H]- 254.077416 152.7
[M]+ 233.10220142 143.4
[M]- 233.10329858 143.4
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.