CID 6481674

1-(4-bromophenyl)-2-(triazol-2-yl)ethanone

Structural Information

Molecular Formula
C10H8BrN3O
SMILES
C1=CC(=CC=C1C(=O)CN2N=CC=N2)Br
InChI
InChI=1S/C10H8BrN3O/c11-9-3-1-8(2-4-9)10(15)7-14-12-5-6-13-14/h1-6H,7H2
InChIKey
ZTENTPTVESAYPA-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-(triazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.98508 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.992356 147.2
[M+Na]+ 287.974298 159.4
[M-H]- 263.977804 153.0
[M+NH4]+ 283.018903 165.2
[M+K]+ 303.948238 148.5
[M+H-H2O]+ 247.982340 145.3
[M+HCOO]- 309.983281 167.0
[M+CH3COO]- 323.998931 191.2
[M+Na-2H]- 285.959746 154.1
[M]+ 264.98453142 166.4
[M]- 264.98562858 166.4
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.