CID 28332353

N-cyclohexyl-3-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C13H16F3N
SMILES
C1CCC(CC1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C13H16F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h4-5,8-9,11,17H,1-3,6-7H2
InChIKey
WSBHTBQLKSLILD-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.12349 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.130766 152.4
[M+Na]+ 266.112708 157.2
[M-H]- 242.116214 154.1
[M+NH4]+ 261.157313 169.1
[M+K]+ 282.086648 153.1
[M+H-H2O]+ 226.120750 142.8
[M+HCOO]- 288.121691 169.0
[M+CH3COO]- 302.137341 193.9
[M+Na-2H]- 264.098156 156.4
[M]+ 243.12294142 142.5
[M]- 243.12403858 142.5
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

patents stripe