CID 56723823

15777-55-6

Structural Information

Molecular Formula
C2HBrClN3
SMILES
C1(=NC(=NN1)Br)Cl
InChI
InChI=1S/C2HBrClN3/c3-1-5-2(4)7-6-1/h(H,5,6,7)
InChIKey
LYBWHBAOGXXXKE-UHFFFAOYSA-N
Compound name
3-bromo-5-chloro-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.90424 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.91152 121.3
[M+Na]+ 203.89346 136.3
[M-H]- 179.89696 123.1
[M+NH4]+ 198.93806 143.1
[M+K]+ 219.86740 124.4
[M+H-H2O]+ 163.90150 121.3
[M+HCOO]- 225.90244 136.8
[M+CH3COO]- 239.91809 137.2
[M+Na-2H]- 201.87891 130.3
[M]+ 180.90369 139.6
[M]- 180.90479 139.6
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

patents stripe