CID 155560108

4-bromo-1-ethyl-1h-1,2,3-benzotriazole

Structural Information

Molecular Formula
C8H8BrN3
SMILES
CCN1C2=C(C(=CC=C2)Br)N=N1
InChI
InChI=1S/C8H8BrN3/c1-2-12-7-5-3-4-6(9)8(7)10-11-12/h3-5H,2H2,1H3
InChIKey
RZYFLLQRMUEMRN-UHFFFAOYSA-N
Compound name
4-bromo-1-ethylbenzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.99016 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.997436 137.2
[M+Na]+ 247.979378 152.5
[M-H]- 223.982884 141.7
[M+NH4]+ 243.023983 158.8
[M+K]+ 263.953318 141.4
[M+H-H2O]+ 207.987420 136.6
[M+HCOO]- 269.988361 158.2
[M+CH3COO]- 284.004011 153.3
[M+Na-2H]- 245.964826 147.1
[M]+ 224.98961142 158.7
[M]- 224.99070858 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.