CID 46864103

947249-01-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
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

literature stripe

Patent stripe

patents stripe