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]+ 180.11830 137.0
[M+Na]+ 202.10024 143.0
[M-H]- 178.10374 142.0
[M+NH4]+ 197.14484 158.3
[M+K]+ 218.07418 139.8
[M+H-H2O]+ 162.10828 129.6
[M+HCOO]- 224.10922 160.3
[M+CH3COO]- 238.12487 182.3
[M+Na-2H]- 200.08569 141.4
[M]+ 179.11047 131.5
[M]- 179.11157 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