CID 51557140

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

Structural Information

Molecular Formula
C9H9F2NO
SMILES
C1COC2=C([C@@H]1N)C=C(C=C2F)F
InChI
InChI=1S/C9H9F2NO/c10-5-3-6-8(12)1-2-13-9(6)7(11)4-5/h3-4,8H,1-2,12H2/t8-/m1/s1
InChIKey
ZKIGFYDHFRNAMR-MRVPVSSYSA-N
Compound name
(4R)-6,8-difluoro-3,4-dihydro-2H-chromen-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 134.7
[M+Na]+ 208.05444 143.7
[M-H]- 184.05794 137.2
[M+NH4]+ 203.09904 154.2
[M+K]+ 224.02838 141.6
[M+H-H2O]+ 168.06248 127.3
[M+HCOO]- 230.06342 153.8
[M+CH3COO]- 244.07907 184.4
[M+Na-2H]- 206.03989 141.0
[M]+ 185.06467 129.8
[M]- 185.06577 129.8
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