CID 16244439

939759-01-0

Structural Information

Molecular Formula
C9H9F2NO
SMILES
C1C(COC2=C1C=C(C=C2F)F)N
InChI
InChI=1S/C9H9F2NO/c10-6-1-5-2-7(12)4-13-9(5)8(11)3-6/h1,3,7H,2,4,12H2
InChIKey
XESORRKVRNORPM-UHFFFAOYSA-N
Compound name
6,8-difluoro-3,4-dihydro-2H-chromen-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

185.06522 Da
Monoisotopic Mass

1.3
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