CID 56604398

3-fluoro-4-(oxetan-3-yloxy)aniline

Structural Information

Molecular Formula
C9H10FNO2
SMILES
C1C(CO1)OC2=C(C=C(C=C2)N)F
InChI
InChI=1S/C9H10FNO2/c10-8-3-6(11)1-2-9(8)13-7-4-12-5-7/h1-3,7H,4-5,11H2
InChIKey
WFTYADRJDUCEKC-UHFFFAOYSA-N
Compound name
3-fluoro-4-(oxetan-3-yloxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.06955 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.076826 132.2
[M+Na]+ 206.058768 138.9
[M-H]- 182.062274 138.0
[M+NH4]+ 201.103373 144.0
[M+K]+ 222.032708 141.4
[M+H-H2O]+ 166.066810 119.7
[M+HCOO]- 228.067751 153.9
[M+CH3COO]- 242.083401 185.9
[M+Na-2H]- 204.044216 138.4
[M]+ 183.06900142 139.3
[M]- 183.07009858 139.3
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.