CID 62197352

1-[(2,4-difluorophenyl)methyl]cyclopentan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H15F2N
SMILES
C1CCC(C1)(CC2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C12H15F2N/c13-10-4-3-9(11(14)7-10)8-12(15)5-1-2-6-12/h3-4,7H,1-2,5-6,8,15H2
InChIKey
IOGLGWKGWZIFPD-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.124526 144.3
[M+Na]+ 234.106468 151.8
[M-H]- 210.109974 148.0
[M+NH4]+ 229.151073 166.3
[M+K]+ 250.080408 147.7
[M+H-H2O]+ 194.114510 136.7
[M+HCOO]- 256.115451 165.6
[M+CH3COO]- 270.131101 188.0
[M+Na-2H]- 232.091916 146.8
[M]+ 211.11670142 137.7
[M]- 211.11779858 137.7
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.