CID 16244319

4,6-difluoro-2,3-dihydro-1h-inden-1-amine

Structural Information

Molecular Formula
C9H9F2N
SMILES
C1CC2=C(C1N)C=C(C=C2F)F
InChI
InChI=1S/C9H9F2N/c10-5-3-7-6(8(11)4-5)1-2-9(7)12/h3-4,9H,1-2,12H2
InChIKey
PMEWWUGTAKIVBC-UHFFFAOYSA-N
Compound name
4,6-difluoro-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

169.07031 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.077586 130.3
[M+Na]+ 192.059528 140.2
[M-H]- 168.063034 132.5
[M+NH4]+ 187.104133 153.8
[M+K]+ 208.033468 136.5
[M+H-H2O]+ 152.067570 123.7
[M+HCOO]- 214.068511 152.4
[M+CH3COO]- 228.084161 182.0
[M+Na-2H]- 190.044976 134.4
[M]+ 169.06976142 125.5
[M]- 169.07085858 125.5
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