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

20
Patents

174.9745 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.98178 124.9
[M+Na]+ 197.96372 137.9
[M-H]- 173.96722 127.6
[M+NH4]+ 193.00832 146.7
[M+K]+ 213.93766 128.5
[M+H-H2O]+ 157.97176 124.0
[M+HCOO]- 219.97270 145.8
[M+CH3COO]- 233.98835 175.9
[M+Na-2H]- 195.94917 134.5
[M]+ 174.97395 144.0
[M]- 174.97505 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