CID 21534495

1-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C13H16F3N
SMILES
C1CCC(CC1)(C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C13H16F3N/c14-13(15,16)11-6-4-5-10(9-11)12(17)7-2-1-3-8-12/h4-6,9H,1-3,7-8,17H2
InChIKey
UBLNVYIKUWTTQA-UHFFFAOYSA-N
Compound name
1-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

243.12349 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.130766 153.4
[M+Na]+ 266.112708 159.3
[M-H]- 242.116214 155.1
[M+NH4]+ 261.157313 172.0
[M+K]+ 282.086648 155.1
[M+H-H2O]+ 226.120750 144.6
[M+HCOO]- 288.121691 169.5
[M+CH3COO]- 302.137341 192.8
[M+Na-2H]- 264.098156 157.4
[M]+ 243.12294142 142.8
[M]- 243.12403858 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe