CID 11356016

(2r)-6-fluoro-3,4-dihydro-2-((2r)-2-oxiranyl)-2h-1-benzopyran

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H]3CO3
InChI
InChI=1S/C11H11FO2/c12-8-2-4-9-7(5-8)1-3-10(14-9)11-6-13-11/h2,4-5,10-11H,1,3,6H2/t10-,11-/m1/s1
InChIKey
GVZDIJGBXSDSEP-GHMZBOCLSA-N
Compound name
(2R)-6-fluoro-2-[(2R)-oxiran-2-yl]-3,4-dihydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

194.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 137.0
[M+Na]+ 217.06353 147.0
[M-H]- 193.06703 145.4
[M+NH4]+ 212.10813 150.3
[M+K]+ 233.03747 146.5
[M+H-H2O]+ 177.07157 129.1
[M+HCOO]- 239.07251 155.6
[M+CH3COO]- 253.08816 150.4
[M+Na-2H]- 215.04898 145.4
[M]+ 194.07376 138.5
[M]- 194.07486 138.5
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

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