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]+ 184.07683 132.2
[M+Na]+ 206.05877 138.9
[M-H]- 182.06227 138.0
[M+NH4]+ 201.10337 144.0
[M+K]+ 222.03271 141.4
[M+H-H2O]+ 166.06681 119.7
[M+HCOO]- 228.06775 153.9
[M+CH3COO]- 242.08340 185.9
[M+Na-2H]- 204.04422 138.4
[M]+ 183.06900 139.3
[M]- 183.07010 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.