CID 139022839

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

Structural Information

Molecular Formula
C9H14BClN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NN2)Cl
InChI
InChI=1S/C9H14BClN2O2/c1-8(2)9(3,4)15-10(14-8)7-6(11)5-12-13-7/h5H,1-4H3,(H,12,13)
InChIKey
UXEGLBGGOJIZEF-UHFFFAOYSA-N
Compound name
4-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08368 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09096 143.0
[M+Na]+ 251.07290 153.9
[M-H]- 227.07640 147.8
[M+NH4]+ 246.11750 163.8
[M+K]+ 267.04684 152.3
[M+H-H2O]+ 211.08094 138.7
[M+HCOO]- 273.08188 157.2
[M+CH3COO]- 287.09753 156.7
[M+Na-2H]- 249.05835 147.3
[M]+ 228.08313 146.1
[M]- 228.08423 146.1
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.