CID 119032115

1803592-86-0

Structural Information

Molecular Formula
C4H5Br2N3
SMILES
C1=NC(=NN1CCBr)Br
InChI
InChI=1S/C4H5Br2N3/c5-1-2-9-3-7-4(6)8-9/h3H,1-2H2
InChIKey
LQCUOJBBLKYAPD-UHFFFAOYSA-N
Compound name
3-bromo-1-(2-bromoethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.88503 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.89231 125.5
[M+Na]+ 275.87425 138.4
[M-H]- 251.87775 129.8
[M+NH4]+ 270.91885 144.9
[M+K]+ 291.84819 124.1
[M+H-H2O]+ 235.88229 133.3
[M+HCOO]- 297.88323 141.6
[M+CH3COO]- 311.89888 195.8
[M+Na-2H]- 273.85970 134.5
[M]+ 252.88448 160.3
[M]- 252.88558 160.3
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.