CID 4712738

4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1h-pyrazole hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

270.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16124 157.5
[M+Na]+ 293.14318 167.1
[M-H]- 269.14668 165.7
[M+NH4]+ 288.18778 175.7
[M+K]+ 309.11712 165.4
[M+H-H2O]+ 253.15122 151.0
[M+HCOO]- 315.15216 176.1
[M+CH3COO]- 329.16781 170.4
[M+Na-2H]- 291.12863 160.9
[M]+ 270.15341 158.9
[M]- 270.15451 158.9
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