CID 165604102

3-bromo-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula
C10H16BBrN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2Br)C
InChI
InChI=1S/C10H16BBrN2O2/c1-9(2)10(3,4)16-11(15-9)7-6-14(5)13-8(7)12/h6H,1-5H3
InChIKey
MXXKDFZDFPFORM-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-4-(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

286.04883 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05611 149.2
[M+Na]+ 309.03805 163.5
[M-H]- 285.04155 158.3
[M+NH4]+ 304.08265 171.7
[M+K]+ 325.01199 156.0
[M+H-H2O]+ 269.04609 151.2
[M+HCOO]- 331.04703 167.4
[M+CH3COO]- 345.06268 196.4
[M+Na-2H]- 307.02350 154.8
[M]+ 286.04828 172.0
[M]- 286.04938 172.0
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.