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]+ 234.11003 149.5
[M+Na]+ 256.09197 154.8
[M-H]- 232.09547 147.4
[M+NH4]+ 251.13657 166.0
[M+K]+ 272.06591 152.0
[M+H-H2O]+ 216.10001 141.0
[M+HCOO]- 278.10095 166.3
[M+CH3COO]- 292.11660 191.3
[M+Na-2H]- 254.07742 152.7
[M]+ 233.10220 143.4
[M]- 233.10330 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.