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]+ 186.072496 134.7
[M+Na]+ 208.054438 143.7
[M-H]- 184.057944 137.2
[M+NH4]+ 203.099043 154.2
[M+K]+ 224.028378 141.6
[M+H-H2O]+ 168.062480 127.3
[M+HCOO]- 230.063421 153.8
[M+CH3COO]- 244.079071 184.4
[M+Na-2H]- 206.039886 141.0
[M]+ 185.06467142 129.8
[M]- 185.06576858 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