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

2
Patents

243.12349 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13077 152.4
[M+Na]+ 266.11271 157.2
[M-H]- 242.11621 154.1
[M+NH4]+ 261.15731 169.1
[M+K]+ 282.08665 153.1
[M+H-H2O]+ 226.12075 142.8
[M+HCOO]- 288.12169 169.0
[M+CH3COO]- 302.13734 193.9
[M+Na-2H]- 264.09816 156.4
[M]+ 243.12294 142.5
[M]- 243.12404 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