CID 24688599

1-(2-bromoethyl)-1h-1,2,4-triazole hydrobromide

Structural Information

Molecular Formula
C4H6BrN3
SMILES
C1=NN(C=N1)CCBr
InChI
InChI=1S/C4H6BrN3/c5-1-2-8-4-6-3-7-8/h3-4H,1-2H2
InChIKey
ZVBNLOPLTPPUHW-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

174.9745 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.981776 124.9
[M+Na]+ 197.963718 137.9
[M-H]- 173.967224 127.6
[M+NH4]+ 193.008323 146.7
[M+K]+ 213.937658 128.5
[M+H-H2O]+ 157.971760 124.0
[M+HCOO]- 219.972701 145.8
[M+CH3COO]- 233.988351 175.9
[M+Na-2H]- 195.949166 134.5
[M]+ 174.97395142 144.0
[M]- 174.97504858 144.0
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