CID 58072367

1238702-58-3

Structural Information

Molecular Formula
C15H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C3=CC=CC=C3
InChI
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)13-10-11-17-18(13)12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKey
TZYVCRRPWKPCLH-UHFFFAOYSA-N
Compound name
1-phenyl-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

62
Patents

270.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.161236 156.5
[M+Na]+ 293.143178 166.5
[M-H]- 269.146684 166.0
[M+NH4]+ 288.187783 175.4
[M+K]+ 309.117118 165.7
[M+H-H2O]+ 253.151220 149.8
[M+HCOO]- 315.152161 176.6
[M+CH3COO]- 329.167811 170.1
[M+Na-2H]- 291.128626 160.3
[M]+ 270.15341142 159.6
[M]- 270.15450858 159.6
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