CID 155944005

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

Structural Information

Molecular Formula
C5H7BrClN3
SMILES
CCN1N=C(C(=N1)Br)CCl
InChI
InChI=1S/C5H7BrClN3/c1-2-10-8-4(3-7)5(6)9-10/h2-3H2,1H3
InChIKey
PXDOCDBHLYETNJ-UHFFFAOYSA-N
Compound name
4-bromo-5-(chloromethyl)-2-ethyltriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.95119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.958466 133.7
[M+Na]+ 245.940408 148.9
[M-H]- 221.943914 136.8
[M+NH4]+ 240.985013 155.1
[M+K]+ 261.914348 137.1
[M+H-H2O]+ 205.948450 133.2
[M+HCOO]- 267.949391 149.7
[M+CH3COO]- 281.965041 184.3
[M+Na-2H]- 243.925856 141.1
[M]+ 222.95064142 155.2
[M]- 222.95173858 155.2
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.