CID 28332349

N-cyclohexyl-3-fluoroaniline

Structural Information

Molecular Formula
C12H16FN
SMILES
C1CCC(CC1)NC2=CC(=CC=C2)F
InChI
InChI=1S/C12H16FN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h4-5,8-9,11,14H,1-3,6-7H2
InChIKey
SMFLBUAKPLUQTI-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12668 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 141.5
[M+Na]+ 216.115898 146.0
[M-H]- 192.119404 145.9
[M+NH4]+ 211.160503 160.3
[M+K]+ 232.089838 142.7
[M+H-H2O]+ 176.123940 133.5
[M+HCOO]- 238.124881 162.2
[M+CH3COO]- 252.140531 185.7
[M+Na-2H]- 214.101346 146.7
[M]+ 193.12613142 134.1
[M]- 193.12722858 134.1
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