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
4
Annotation Hits

23
References

2704
Patents

195.06955 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.076826 137.0
[M+Na]+ 218.058768 145.4
[M-H]- 194.062274 139.4
[M+NH4]+ 213.103373 155.7
[M+K]+ 234.032708 143.8
[M+H-H2O]+ 178.066810 130.4
[M+HCOO]- 240.067751 152.0
[M+CH3COO]- 254.083401 149.5
[M+Na-2H]- 216.044216 144.0
[M]+ 195.06900142 133.8
[M]- 195.07009858 133.8
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