CID 133633059

2379362-96-4

Structural Information

Molecular Formula
C12H16BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C12H16BF3N2O2/c1-10(2)11(3,4)20-13(19-10)7-5-6-8(12(14,15)16)18-9(7)17/h5-6H,1-4H3,(H2,17,18)
InChIKey
SZDZBCFZIGSNGQ-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

288.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.132976 158.0
[M+Na]+ 311.114918 168.6
[M-H]- 287.118424 161.5
[M+NH4]+ 306.159523 175.8
[M+K]+ 327.088858 167.8
[M+H-H2O]+ 271.122960 150.7
[M+HCOO]- 333.123901 173.7
[M+CH3COO]- 347.139551 202.1
[M+Na-2H]- 309.100366 162.6
[M]+ 288.12515142 156.0
[M]- 288.12624858 156.0
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