CID 59507872

944401-67-6

Structural Information

Molecular Formula
C11H16BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)N)F
InChI
InChI=1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)7-5-6-8(14)15-9(7)13/h5-6H,1-4H3,(H2,14,15)
InChIKey
URUHDSKWFVRYIP-UHFFFAOYSA-N
Compound name
6-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

238.12889 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13617 147.7
[M+Na]+ 261.11811 158.2
[M-H]- 237.12161 153.8
[M+NH4]+ 256.16271 167.5
[M+K]+ 277.09205 157.9
[M+H-H2O]+ 221.12615 141.7
[M+HCOO]- 283.12709 167.4
[M+CH3COO]- 297.14274 193.8
[M+Na-2H]- 259.10356 152.9
[M]+ 238.12834 148.3
[M]- 238.12944 148.3
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