CID 72036

Fluparoxan

Structural Information

Molecular Formula
C10H10FNO2
SMILES
C1[C@H]2[C@H](CN1)OC3=C(O2)C=CC=C3F
InChI
InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2/t8-,9-/m0/s1
InChIKey
XSOUHEXVEOQRKJ-IUCAKERBSA-N
Compound name
(3aS,9aS)-5-fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

2273
Patents

195.06955 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07683 140.5
[M+Na]+ 218.05877 152.2
[M+NH4]+ 213.10337 149.3
[M+K]+ 234.03271 148.3
[M-H]- 194.06227 143.5
[M+Na-2H]- 216.04422 142.9
[M]+ 195.06900 142.9
[M]- 195.07010 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe