CID 63035270

1803599-93-0

Structural Information

Molecular Formula
C12H15ClFN
SMILES
C1CCC(C1)(CN)C2=C(C=C(C=C2)F)Cl
InChI
InChI=1S/C12H15ClFN/c13-11-7-9(14)3-4-10(11)12(8-15)5-1-2-6-12/h3-4,7H,1-2,5-6,8,15H2
InChIKey
FWJHJPZXPUJOOW-UHFFFAOYSA-N
Compound name
[1-(2-chloro-4-fluorophenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0877 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09498 149.2
[M+Na]+ 250.07692 157.4
[M-H]- 226.08042 154.0
[M+NH4]+ 245.12152 171.5
[M+K]+ 266.05086 151.7
[M+H-H2O]+ 210.08496 143.1
[M+HCOO]- 272.08590 166.9
[M+CH3COO]- 286.10155 189.0
[M+Na-2H]- 248.06237 151.7
[M]+ 227.08715 145.7
[M]- 227.08825 145.7
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

No patent data available for this compound.