CID 72219062

2096331-04-1

Structural Information

Molecular Formula
C12H16BF3N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2N)C(F)(F)F
InChI
InChI=1S/C12H16BF3N2O2/c1-10(2)11(3,4)20-13(19-10)8-5-7(12(14,15)16)6-18-9(8)17/h5-6H,1-4H3,(H2,17,18)
InChIKey
ZXQHPUDFZBGBOL-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1257 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13298 158.0
[M+Na]+ 311.11492 168.6
[M-H]- 287.11842 161.5
[M+NH4]+ 306.15952 175.8
[M+K]+ 327.08886 167.8
[M+H-H2O]+ 271.12296 150.7
[M+HCOO]- 333.12390 173.7
[M+CH3COO]- 347.13955 202.1
[M+Na-2H]- 309.10037 162.6
[M]+ 288.12515 156.0
[M]- 288.12625 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

No patent data available for this compound.