CID 63220416

4-[(2,4-difluorophenyl)methyl]oxan-4-amine

Structural Information

Molecular Formula
C12H15F2NO
SMILES
C1COCCC1(CC2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C12H15F2NO/c13-10-2-1-9(11(14)7-10)8-12(15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2
InChIKey
FNNRMGTUVMEUHO-UHFFFAOYSA-N
Compound name
4-[(2,4-difluorophenyl)methyl]oxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.11217 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.119446 149.3
[M+Na]+ 250.101388 156.0
[M-H]- 226.104894 153.3
[M+NH4]+ 245.145993 167.4
[M+K]+ 266.075328 153.6
[M+H-H2O]+ 210.109430 140.9
[M+HCOO]- 272.110371 167.6
[M+CH3COO]- 286.126021 190.4
[M+Na-2H]- 248.086836 154.0
[M]+ 227.11162142 142.6
[M]- 227.11271858 142.6
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.