CID 75356582

(4r)-6,8-difluoro-3,4-dihydro-2h-1-benzopyran-4-ol

Structural Information

Molecular Formula
C9H8F2O2
SMILES
C1COC2=C([C@@H]1O)C=C(C=C2F)F
InChI
InChI=1S/C9H8F2O2/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4,8,12H,1-2H2/t8-/m1/s1
InChIKey
YIYJSJWWXNXVNN-MRVPVSSYSA-N
Compound name
(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05652 133.1
[M+Na]+ 209.03846 142.5
[M-H]- 185.04196 134.8
[M+NH4]+ 204.08306 152.4
[M+K]+ 225.01240 140.4
[M+H-H2O]+ 169.04650 126.1
[M+HCOO]- 231.04744 150.6
[M+CH3COO]- 245.06309 179.7
[M+Na-2H]- 207.02391 139.7
[M]+ 186.04869 129.5
[M]- 186.04979 129.5
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

patents stripe