CID 145869361

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

Structural Information

Molecular Formula
C10H15BF3N3O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(N=NN2C)C(F)(F)F
InChI
InChI=1S/C10H15BF3N3O2/c1-8(2)9(3,4)19-11(18-8)7-6(10(12,13)14)15-16-17(7)5/h1-5H3
InChIKey
FKRZNXINNZJOOR-UHFFFAOYSA-N
Compound name
1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12094 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12822 150.5
[M+Na]+ 300.11016 162.4
[M-H]- 276.11366 152.1
[M+NH4]+ 295.15476 168.3
[M+K]+ 316.08410 162.6
[M+H-H2O]+ 260.11820 143.3
[M+HCOO]- 322.11914 164.7
[M+CH3COO]- 336.13479 197.6
[M+Na-2H]- 298.09561 154.0
[M]+ 277.12039 151.2
[M]- 277.12149 151.2
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.