CID 145915403

3-[(2,4-difluorophenyl)methyl]oxetan-3-amine hydrochloride

Structural Information

Molecular Formula
C10H11F2NO
SMILES
C1C(CO1)(CC2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C10H11F2NO/c11-8-2-1-7(9(12)3-8)4-10(13)5-14-6-10/h1-3H,4-6,13H2
InChIKey
UPFPIWANOJNOBO-UHFFFAOYSA-N
Compound name
3-[(2,4-difluorophenyl)methyl]oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.08087 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.088146 139.2
[M+Na]+ 222.070088 146.6
[M-H]- 198.073594 143.9
[M+NH4]+ 217.114693 152.4
[M+K]+ 238.044028 147.9
[M+H-H2O]+ 182.078130 126.9
[M+HCOO]- 244.079071 159.3
[M+CH3COO]- 258.094721 189.1
[M+Na-2H]- 220.055536 145.0
[M]+ 199.08032142 144.4
[M]- 199.08141858 144.4
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.