CID 72220385

1550370-68-7

Structural Information

Molecular Formula
C13H20BFN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N(C)C)F
InChI
InChI=1S/C13H20BFN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-10(15)11(16-8-9)17(5)6/h7-8H,1-6H3
InChIKey
PGYTUMQCCDZZDN-UHFFFAOYSA-N
Compound name
3-fluoro-N,N-dimethyl-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

21
Patents

266.1602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16748 155.1
[M+Na]+ 289.14942 164.9
[M-H]- 265.15292 162.8
[M+NH4]+ 284.19402 174.7
[M+K]+ 305.12336 165.9
[M+H-H2O]+ 249.15746 148.7
[M+HCOO]- 311.15840 175.3
[M+CH3COO]- 325.17405 203.8
[M+Na-2H]- 287.13487 159.6
[M]+ 266.15965 158.5
[M]- 266.16075 158.5
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