CID 49853531

1188302-00-2

Structural Information

Molecular Formula
C12H17BF2N2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)OC(F)F
InChI
InChI=1S/C12H17BF2N2O3/c1-11(2)12(3,4)20-13(19-11)7-5-8(18-10(14)15)9(16)17-6-7/h5-6,10H,1-4H3,(H2,16,17)
InChIKey
NZLQCDFSYDIYKR-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-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

56
Patents

286.13004 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13732 158.7
[M+Na]+ 309.11926 168.3
[M-H]- 285.12276 163.3
[M+NH4]+ 304.16386 176.2
[M+K]+ 325.09320 168.5
[M+H-H2O]+ 269.12730 151.6
[M+HCOO]- 331.12824 176.1
[M+CH3COO]- 345.14389 202.6
[M+Na-2H]- 307.10471 161.7
[M]+ 286.12949 159.3
[M]- 286.13059 159.3
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