CID 53216780

5-fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole

Structural Information

Molecular Formula
C14H17BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C14H17BFNO2/c1-13(2)14(3,4)19-15(18-13)12-8-9-7-10(16)5-6-11(9)17-12/h5-8,17H,1-4H3
InChIKey
MJRYFGMQZMXUTH-UHFFFAOYSA-N
Compound name
5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

261.13364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14092 152.8
[M+Na]+ 284.12286 164.9
[M-H]- 260.12636 159.4
[M+NH4]+ 279.16746 174.5
[M+K]+ 300.09680 162.5
[M+H-H2O]+ 244.13090 147.6
[M+HCOO]- 306.13184 171.7
[M+CH3COO]- 320.14749 166.8
[M+Na-2H]- 282.10831 157.4
[M]+ 261.13309 155.4
[M]- 261.13419 155.4
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