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

632
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

literature stripe

Patent stripe

patents stripe