CID 43481375

[1-(4-chlorophenyl)-2,2,2-trifluoroethyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H9ClF3N
SMILES
CNC(C1=CC=C(C=C1)Cl)C(F)(F)F
InChI
InChI=1S/C9H9ClF3N/c1-14-8(9(11,12)13)6-2-4-7(10)5-3-6/h2-5,8,14H,1H3
InChIKey
GRHXLLLWHUQZIF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.03757 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04485 141.5
[M+Na]+ 246.02679 150.2
[M-H]- 222.03029 141.3
[M+NH4]+ 241.07139 160.5
[M+K]+ 262.00073 145.7
[M+H-H2O]+ 206.03483 134.2
[M+HCOO]- 268.03577 156.8
[M+CH3COO]- 282.05142 189.9
[M+Na-2H]- 244.01224 146.4
[M]+ 223.03702 138.4
[M]- 223.03812 138.4
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.