CID 81449155

1-benzyl-4-(1-bromoethyl)-1h-1,2,3-triazole

Structural Information

Molecular Formula
C11H12BrN3
SMILES
CC(C1=CN(N=N1)CC2=CC=CC=C2)Br
InChI
InChI=1S/C11H12BrN3/c1-9(12)11-8-15(14-13-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKey
MGQXYCJPLBNASP-UHFFFAOYSA-N
Compound name
1-benzyl-4-(1-bromoethyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02145 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.028726 150.3
[M+Na]+ 288.010668 162.0
[M-H]- 264.014174 156.0
[M+NH4]+ 283.055273 168.5
[M+K]+ 303.984608 150.9
[M+H-H2O]+ 248.018710 148.4
[M+HCOO]- 310.019651 169.5
[M+CH3COO]- 324.035301 164.5
[M+Na-2H]- 285.996116 156.7
[M]+ 265.02090142 169.3
[M]- 265.02199858 169.3
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.