CID 67249134

1312478-63-9

Structural Information

Molecular Formula
C15H19BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C=CC=N3
InChI
InChI=1S/C15H19BN2O2/c1-14(2)15(3,4)20-16(19-14)12-6-8-13(9-7-12)18-11-5-10-17-18/h5-11H,1-4H3
InChIKey
GEHYGTZFIJRNRN-UHFFFAOYSA-N
Compound name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

270.15396 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16124 157.6
[M+Na]+ 293.14318 171.0
[M+NH4]+ 288.18778 168.3
[M+K]+ 309.11712 165.3
[M-H]- 269.14668 164.3
[M+Na-2H]- 291.12863 167.2
[M]+ 270.15341 161.8
[M]- 270.15451 161.8
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