CID 45785702

775351-40-1

Structural Information

Molecular Formula
C13H17BN4O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3=NNN=N3
InChI
InChI=1S/C13H17BN4O2/c1-12(2)13(3,4)20-14(19-12)10-7-5-9(6-8-10)11-15-17-18-16-11/h5-8H,1-4H3,(H,15,16,17,18)
InChIKey
ONAVJWUKLJDJAI-UHFFFAOYSA-N
Compound name
5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

272.14447 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15175 157.0
[M+Na]+ 295.13369 167.3
[M-H]- 271.13719 162.7
[M+NH4]+ 290.17829 172.2
[M+K]+ 311.10763 165.9
[M+H-H2O]+ 255.14173 148.8
[M+HCOO]- 317.14267 173.5
[M+CH3COO]- 331.15832 169.2
[M+Na-2H]- 293.11914 160.5
[M]+ 272.14392 158.6
[M]- 272.14502 158.6
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