CID 153668428

4-bromo-5-(bromomethyl)-2-ethyl-2h-1,2,3-triazole

Structural Information

Molecular Formula
C5H7Br2N3
SMILES
CCN1N=C(C(=N1)Br)CBr
InChI
InChI=1S/C5H7Br2N3/c1-2-10-8-4(3-6)5(7)9-10/h2-3H2,1H3
InChIKey
GLENSIIAMHPODO-UHFFFAOYSA-N
Compound name
4-bromo-5-(bromomethyl)-2-ethyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.90067 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.90795 129.2
[M+Na]+ 289.88989 142.5
[M-H]- 265.89339 133.7
[M+NH4]+ 284.93449 148.4
[M+K]+ 305.86383 127.8
[M+H-H2O]+ 249.89793 137.0
[M+HCOO]- 311.89887 145.1
[M+CH3COO]- 325.91452 198.9
[M+Na-2H]- 287.87534 137.2
[M]+ 266.90012 164.5
[M]- 266.90122 164.5
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

No patent data available for this compound.