CID 45075740

1270294-05-7

Structural Information

Molecular Formula
C9H8F2O2
SMILES
C1COC2=C([C@@H]1O)C(=CC(=C2)F)F
InChI
InChI=1S/C9H8F2O2/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7,12H,1-2H2/t7-/m1/s1
InChIKey
HGTYMLFMXKYIQW-SSDOTTSWSA-N
Compound name
(4R)-5,7-difluoro-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

186.04924 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.056516 133.1
[M+Na]+ 209.038458 142.5
[M-H]- 185.041964 134.8
[M+NH4]+ 204.083063 152.4
[M+K]+ 225.012398 140.4
[M+H-H2O]+ 169.046500 126.1
[M+HCOO]- 231.047441 150.6
[M+CH3COO]- 245.063091 179.7
[M+Na-2H]- 207.023906 139.7
[M]+ 186.04869142 129.5
[M]- 186.04978858 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