CID 28428706

N-[(2,4-difluorophenyl)methyl]cyclopentanamine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CCC(C1)NCC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H15F2N/c13-10-6-5-9(12(14)7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKey
HFHQBXCRNKOJOB-UHFFFAOYSA-N
Compound name
N-[(2,4-difluorophenyl)methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11725 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12453 144.2
[M+Na]+ 234.10647 150.7
[M-H]- 210.10997 148.0
[M+NH4]+ 229.15107 164.5
[M+K]+ 250.08041 146.9
[M+H-H2O]+ 194.11451 135.9
[M+HCOO]- 256.11545 166.1
[M+CH3COO]- 270.13110 189.1
[M+Na-2H]- 232.09192 146.7
[M]+ 211.11670 138.4
[M]- 211.11780 138.4
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.