CID 72218190

5-bromo-1-ethyl-1h-1,2,3-triazole

Structural Information

Molecular Formula
C4H6BrN3
SMILES
CCN1C(=CN=N1)Br
InChI
InChI=1S/C4H6BrN3/c1-2-8-4(5)3-6-7-8/h3H,2H2,1H3
InChIKey
ZFBVKTONEWDMNO-UHFFFAOYSA-N
Compound name
5-bromo-1-ethyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.9745 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.981776 124.7
[M+Na]+ 197.963718 138.6
[M-H]- 173.967224 127.8
[M+NH4]+ 193.008323 146.8
[M+K]+ 213.937658 129.0
[M+H-H2O]+ 157.971760 124.0
[M+HCOO]- 219.972701 145.6
[M+CH3COO]- 233.988351 176.9
[M+Na-2H]- 195.949166 133.7
[M]+ 174.97395142 144.1
[M]- 174.97504858 144.1
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