CID 165944212

2962768-16-5

Structural Information

Molecular Formula
C12H15BFN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=NNN=C3C(=C2)F
InChI
InChI=1S/C12H15BFN3O2/c1-11(2)12(3,4)19-13(18-11)7-5-8(14)10-9(6-7)15-17-16-10/h5-6H,1-4H3,(H,15,16,17)
InChIKey
RIDDRXHQOFDRGO-UHFFFAOYSA-N
Compound name
4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.12415 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13143 152.4
[M+Na]+ 286.11337 165.3
[M-H]- 262.11687 156.5
[M+NH4]+ 281.15797 171.1
[M+K]+ 302.08731 163.3
[M+H-H2O]+ 246.12141 145.3
[M+HCOO]- 308.12235 169.4
[M+CH3COO]- 322.13800 165.7
[M+Na-2H]- 284.09882 157.1
[M]+ 263.12360 155.3
[M]- 263.12470 155.3
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

No patent data available for this compound.