CID 46318180

1222533-84-7

Structural Information

Molecular Formula
C13H16BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC3=C2C=C(C=N3)F
InChI
InChI=1S/C13H16BFN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17)
InChIKey
ZFZRLWYWYCQAHD-UHFFFAOYSA-N
Compound name
5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

262.12888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13616 152.5
[M+Na]+ 285.11810 165.0
[M-H]- 261.12160 157.9
[M+NH4]+ 280.16270 172.7
[M+K]+ 301.09204 162.8
[M+H-H2O]+ 245.12614 146.3
[M+HCOO]- 307.12708 170.5
[M+CH3COO]- 321.14273 166.2
[M+Na-2H]- 283.10355 157.2
[M]+ 262.12833 155.3
[M]- 262.12943 155.3
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