CID 155822920

4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2h-1,2,3-triazole

Structural Information

Molecular Formula
C10H17BClN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(N=C2Cl)CC
InChI
InChI=1S/C10H17BClN3O2/c1-6-15-13-7(8(12)14-15)11-16-9(2,3)10(4,5)17-11/h6H2,1-5H3
InChIKey
JNBBCOXVPGJSAO-UHFFFAOYSA-N
Compound name
4-chloro-2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.11023 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11751 149.4
[M+Na]+ 280.09945 161.2
[M-H]- 256.10295 154.3
[M+NH4]+ 275.14405 168.7
[M+K]+ 296.07339 160.3
[M+H-H2O]+ 240.10749 143.9
[M+HCOO]- 302.10843 163.4
[M+CH3COO]- 316.12408 193.4
[M+Na-2H]- 278.08490 152.6
[M]+ 257.10968 155.4
[M]- 257.11078 155.4
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

No patent data available for this compound.