CID 499642

Trioxorhenium; tris(3,5-dimethylpyrazol-1-yl)borane

Structural Information

Molecular Formula
C15H21BN6
SMILES
B(N1C(=CC(=N1)C)C)(N2C(=CC(=N2)C)C)N3C(=CC(=N3)C)C
InChI
InChI=1S/C15H21BN6/c1-10-7-13(4)20(17-10)16(21-14(5)8-11(2)18-21)22-15(6)9-12(3)19-22/h7-9H,1-6H3
InChIKey
NVDOAFPFBZTMGQ-UHFFFAOYSA-N
Compound name
tris(3,5-dimethylpyrazol-1-yl)borane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

46
Patents

296.19208 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19936 169.0
[M+Na]+ 319.18130 181.8
[M-H]- 295.18480 174.3
[M+NH4]+ 314.22590 182.7
[M+K]+ 335.15524 177.5
[M+H-H2O]+ 279.18934 159.3
[M+HCOO]- 341.19028 188.9
[M+CH3COO]- 355.20593 181.2
[M+Na-2H]- 317.16675 165.0
[M]+ 296.19153 175.1
[M]- 296.19263 175.1
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