CID 11206617

(1r)-1-[(2r)-6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl]-1,2-ethanediol

Structural Information

Molecular Formula
C11H13FO3
SMILES
C1CC2=C(C=CC(=C2)F)O[C@H]1[C@@H](CO)O
InChI
InChI=1S/C11H13FO3/c12-8-2-4-10-7(5-8)1-3-11(15-10)9(14)6-13/h2,4-5,9,11,13-14H,1,3,6H2/t9-,11-/m1/s1
InChIKey
GCGMAEKAEXMJNG-MWLCHTKSSA-N
Compound name
(1R)-1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

212.08487 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09215 143.5
[M+Na]+ 235.07409 150.2
[M-H]- 211.07759 144.4
[M+NH4]+ 230.11869 160.7
[M+K]+ 251.04803 148.3
[M+H-H2O]+ 195.08213 137.1
[M+HCOO]- 257.08307 159.0
[M+CH3COO]- 271.09872 182.4
[M+Na-2H]- 233.05954 148.7
[M]+ 212.08432 140.3
[M]- 212.08542 140.3
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