CID 56965771

1002334-12-4

Structural Information

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

175
Patents

270.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16124 156.5
[M+Na]+ 293.14318 166.5
[M-H]- 269.14668 166.0
[M+NH4]+ 288.18778 175.4
[M+K]+ 309.11712 165.7
[M+H-H2O]+ 253.15122 149.8
[M+HCOO]- 315.15216 176.6
[M+CH3COO]- 329.16781 170.1
[M+Na-2H]- 291.12863 160.3
[M]+ 270.15341 159.6
[M]- 270.15451 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