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]+ 194.13396 141.5
[M+Na]+ 216.11590 146.0
[M-H]- 192.11940 145.9
[M+NH4]+ 211.16050 160.3
[M+K]+ 232.08984 142.7
[M+H-H2O]+ 176.12394 133.5
[M+HCOO]- 238.12488 162.2
[M+CH3COO]- 252.14053 185.7
[M+Na-2H]- 214.10135 146.7
[M]+ 193.12613 134.1
[M]- 193.12723 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