CID 129946770

2085307-52-2

Structural Information

Molecular Formula
C12H18BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)NC)F
InChI
InChI=1S/C12H18BFN2O2/c1-11(2)12(3,4)18-13(17-11)8-6-7-9(15-5)16-10(8)14/h6-7H,1-5H3,(H,15,16)
InChIKey
NTVHXBIGPIVZBW-UHFFFAOYSA-N
Compound name
6-fluoro-N-methyl-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

4
Patents

252.14453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15181 151.3
[M+Na]+ 275.13375 161.4
[M-H]- 251.13725 157.8
[M+NH4]+ 270.17835 170.8
[M+K]+ 291.10769 161.2
[M+H-H2O]+ 235.14179 145.1
[M+HCOO]- 297.14273 171.4
[M+CH3COO]- 311.15838 197.4
[M+Na-2H]- 273.11920 157.1
[M]+ 252.14398 153.2
[M]- 252.14508 153.2
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