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]+ 200.08815 139.2
[M+Na]+ 222.07009 146.6
[M-H]- 198.07359 143.9
[M+NH4]+ 217.11469 152.4
[M+K]+ 238.04403 147.9
[M+H-H2O]+ 182.07813 126.9
[M+HCOO]- 244.07907 159.3
[M+CH3COO]- 258.09472 189.1
[M+Na-2H]- 220.05554 145.0
[M]+ 199.08032 144.4
[M]- 199.08142 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.