CID 46835422

5,7-difluorochroman-4-amine

Structural Information

Molecular Formula
C9H9F2NO
SMILES
C1COC2=C(C1N)C(=CC(=C2)F)F
InChI
InChI=1S/C9H9F2NO/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7H,1-2,12H2
InChIKey
ZJGYMNXLPZADME-UHFFFAOYSA-N
Compound name
5,7-difluoro-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.06522 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07250 137.5
[M+Na]+ 208.05444 148.8
[M+NH4]+ 203.09904 145.7
[M+K]+ 224.02838 142.7
[M-H]- 184.05794 139.4
[M+Na-2H]- 206.03989 141.8
[M]+ 185.06467 139.4
[M]- 185.06577 139.4
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