CID 124297660

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

Structural Information

Molecular Formula
C15H17BCl2N2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H17BCl2N2O2/c1-14(2)15(3,4)22-16(21-14)10-8-19-20(9-10)13-6-5-11(17)7-12(13)18/h5-9H,1-4H3
InChIKey
KXRHPILWTJQIPE-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-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

9
Patents

338.07602 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08330 170.7
[M+Na]+ 361.06524 182.9
[M-H]- 337.06874 179.5
[M+NH4]+ 356.10984 188.3
[M+K]+ 377.03918 179.2
[M+H-H2O]+ 321.07328 164.5
[M+HCOO]- 383.07422 180.6
[M+CH3COO]- 397.08987 183.3
[M+Na-2H]- 359.05069 171.5
[M]+ 338.07547 177.1
[M]- 338.07657 177.1
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

patents stripe