CID 167728839

4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2h-1,2,3-triazole

Structural Information

Molecular Formula
C9H15BBrN3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=NN(N=C2Br)C
InChI
InChI=1S/C9H15BBrN3O2/c1-8(2)9(3,4)16-10(15-8)6-7(11)13-14(5)12-6/h1-5H3
InChIKey
QVZWEMVASLACAE-UHFFFAOYSA-N
Compound name
4-bromo-2-methyl-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

287.04407 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.05135 147.1
[M+Na]+ 310.03329 161.8
[M-H]- 286.03679 155.1
[M+NH4]+ 305.07789 168.3
[M+K]+ 326.00723 154.6
[M+H-H2O]+ 270.04133 148.4
[M+HCOO]- 332.04227 164.5
[M+CH3COO]- 346.05792 196.2
[M+Na-2H]- 308.01874 152.9
[M]+ 287.04352 170.0
[M]- 287.04462 170.0
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.