CID 81904

3,5-dibromo-4h-1,2,4-triazole

Structural Information

Molecular Formula
C2HBr2N3
SMILES
C1(=NC(=NN1)Br)Br
InChI
InChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)
InChIKey
FRAKFBWDPXYIQO-UHFFFAOYSA-N
Compound name
3,5-dibromo-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

620
Patents

224.85371 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.86099 118.8
[M+Na]+ 247.84293 132.0
[M-H]- 223.84643 122.3
[M+NH4]+ 242.88753 138.5
[M+K]+ 263.81687 117.3
[M+H-H2O]+ 207.85097 127.0
[M+HCOO]- 269.85191 134.3
[M+CH3COO]- 283.86756 189.3
[M+Na-2H]- 245.82838 128.3
[M]+ 224.85316 151.6
[M]- 224.85426 151.6
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.