CID 130630473

3-[amino(4-fluorophenyl)methyl]oxetan-3-ol

Structural Information

Molecular Formula
C10H12FNO2
SMILES
C1C(CO1)(C(C2=CC=C(C=C2)F)N)O
InChI
InChI=1S/C10H12FNO2/c11-8-3-1-7(2-4-8)9(12)10(13)5-14-6-10/h1-4,9,13H,5-6,12H2
InChIKey
MKKOCEDNJVAEJF-UHFFFAOYSA-N
Compound name
3-[amino-(4-fluorophenyl)methyl]oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.0852 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09248 141.9
[M+Na]+ 220.07442 147.3
[M-H]- 196.07792 146.2
[M+NH4]+ 215.11902 153.9
[M+K]+ 236.04836 149.3
[M+H-H2O]+ 180.08246 130.2
[M+HCOO]- 242.08340 160.6
[M+CH3COO]- 256.09905 185.7
[M+Na-2H]- 218.05987 147.1
[M]+ 197.08465 146.7
[M]- 197.08575 146.7
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.