CID 28466124

N-cyclopentyl-4-fluoroaniline

Structural Information

Molecular Formula
C11H14FN
SMILES
C1CCC(C1)NC2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FN/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10,13H,1-4H2
InChIKey
RPEBOBYTZXVRIK-UHFFFAOYSA-N
Compound name
N-cyclopentyl-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

179.11102 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.118296 137.0
[M+Na]+ 202.100238 143.0
[M-H]- 178.103744 142.0
[M+NH4]+ 197.144843 158.3
[M+K]+ 218.074178 139.8
[M+H-H2O]+ 162.108280 129.6
[M+HCOO]- 224.109221 160.3
[M+CH3COO]- 238.124871 182.3
[M+Na-2H]- 200.085686 141.4
[M]+ 179.11047142 131.5
[M]- 179.11156858 131.5
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