CID 165691458

En300-37137551

Structural Information

Molecular Formula
C11H18BBrN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NN2C)Br)C
InChI
InChI=1S/C11H18BBrN2O2/c1-7-8(15(6)14-9(7)13)12-16-10(2,3)11(4,5)17-12/h1-6H3
InChIKey
UJHIVYOLMLBERK-UHFFFAOYSA-N
Compound name
3-bromo-1,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06448 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07176 152.5
[M+Na]+ 323.05370 167.3
[M-H]- 299.05720 161.8
[M+NH4]+ 318.09830 174.8
[M+K]+ 339.02764 159.5
[M+H-H2O]+ 283.06174 154.7
[M+HCOO]- 345.06268 170.4
[M+CH3COO]- 359.07833 200.3
[M+Na-2H]- 321.03915 157.2
[M]+ 300.06393 176.0
[M]- 300.06503 176.0
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.