CID 165994449

6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1h-inden-1-amine

Structural Information

Molecular Formula
C15H21BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC3=C2CCC3N)F
InChI
InChI=1S/C15H21BFNO2/c1-14(2)15(3,4)20-16(19-14)12-8-9(17)7-11-10(12)5-6-13(11)18/h7-8,13H,5-6,18H2,1-4H3
InChIKey
YOECNZAYRPIESP-UHFFFAOYSA-N
Compound name
6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.16495 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17223 159.7
[M+Na]+ 300.15417 169.8
[M-H]- 276.15767 167.8
[M+NH4]+ 295.19877 182.2
[M+K]+ 316.12811 167.9
[M+H-H2O]+ 260.16221 155.4
[M+HCOO]- 322.16315 178.4
[M+CH3COO]- 336.17880 173.1
[M+Na-2H]- 298.13962 161.8
[M]+ 277.16440 159.8
[M]- 277.16550 159.8
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

No patent data available for this compound.