CID 65816234

3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-amine

Structural Information

Molecular Formula
C9H9ClF3N
SMILES
C1=CC(=CC(=C1)Cl)CC(C(F)(F)F)N
InChI
InChI=1S/C9H9ClF3N/c10-7-3-1-2-6(4-7)5-8(14)9(11,12)13/h1-4,8H,5,14H2
InChIKey
KGESSPWDYQFDTL-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.03757 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.044846 142.0
[M+Na]+ 246.026788 150.7
[M-H]- 222.030294 141.3
[M+NH4]+ 241.071393 160.7
[M+K]+ 262.000728 145.8
[M+H-H2O]+ 206.034830 134.8
[M+HCOO]- 268.035771 156.7
[M+CH3COO]- 282.051421 189.2
[M+Na-2H]- 244.012236 145.9
[M]+ 223.03702142 137.8
[M]- 223.03811858 137.8
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.