CID 132398555

3-bromo-5-iodo-1-methyl-1h-1,2,4-triazole

Structural Information

Molecular Formula
C3H3BrIN3
SMILES
CN1C(=NC(=N1)Br)I
InChI
InChI=1S/C3H3BrIN3/c1-8-3(5)6-2(4)7-8/h1H3
InChIKey
UXONCJMEAZUTKB-UHFFFAOYSA-N
Compound name
3-bromo-5-iodo-1-methyl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.8555 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.86278 126.8
[M+Na]+ 309.84472 134.8
[M-H]- 285.84822 123.9
[M+NH4]+ 304.88932 144.2
[M+K]+ 325.81866 131.0
[M+H-H2O]+ 269.85276 122.9
[M+HCOO]- 331.85370 143.2
[M+CH3COO]- 345.86935 186.1
[M+Na-2H]- 307.83017 124.3
[M]+ 286.85495 142.9
[M]- 286.85605 142.9
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.