CID 63900450

3-{[2-(4-chlorophenyl)ethyl]amino}-1,1,1-trifluoropropan-2-ol

Structural Information

Molecular Formula
C11H13ClF3NO
SMILES
C1=CC(=CC=C1CCNCC(C(F)(F)F)O)Cl
InChI
InChI=1S/C11H13ClF3NO/c12-9-3-1-8(2-4-9)5-6-16-7-10(17)11(13,14)15/h1-4,10,16-17H,5-7H2
InChIKey
XQGUGABJTYSZHY-UHFFFAOYSA-N
Compound name
3-[2-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.06378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07106 154.0
[M+Na]+ 290.05300 161.3
[M-H]- 266.05650 152.0
[M+NH4]+ 285.09760 170.5
[M+K]+ 306.02694 156.0
[M+H-H2O]+ 250.06104 146.5
[M+HCOO]- 312.06198 167.4
[M+CH3COO]- 326.07763 195.3
[M+Na-2H]- 288.03845 157.4
[M]+ 267.06323 151.2
[M]- 267.06433 151.2
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.