CID 43312517

N-[(2,5-difluorophenyl)methyl]cyclopentanamine

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CCC(C1)NCC2=C(C=CC(=C2)F)F
InChI
InChI=1S/C12H15F2N/c13-10-5-6-12(14)9(7-10)8-15-11-3-1-2-4-11/h5-7,11,15H,1-4,8H2
InChIKey
LYQFNXDPPBYZDL-UHFFFAOYSA-N
Compound name
N-[(2,5-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]+ 212.124526 144.2
[M+Na]+ 234.106468 150.7
[M-H]- 210.109974 148.0
[M+NH4]+ 229.151073 164.5
[M+K]+ 250.080408 146.9
[M+H-H2O]+ 194.114510 135.9
[M+HCOO]- 256.115451 166.1
[M+CH3COO]- 270.131101 189.1
[M+Na-2H]- 232.091916 146.7
[M]+ 211.11670142 138.4
[M]- 211.11779858 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.