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]+ 228.11945 149.3
[M+Na]+ 250.10139 156.0
[M-H]- 226.10489 153.3
[M+NH4]+ 245.14599 167.4
[M+K]+ 266.07533 153.6
[M+H-H2O]+ 210.10943 140.9
[M+HCOO]- 272.11037 167.6
[M+CH3COO]- 286.12602 190.4
[M+Na-2H]- 248.08684 154.0
[M]+ 227.11162 142.6
[M]- 227.11272 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.