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]+ 265.99236 147.2
[M+Na]+ 287.97430 159.4
[M-H]- 263.97780 153.0
[M+NH4]+ 283.01890 165.2
[M+K]+ 303.94824 148.5
[M+H-H2O]+ 247.98234 145.3
[M+HCOO]- 309.98328 167.0
[M+CH3COO]- 323.99893 191.2
[M+Na-2H]- 285.95975 154.1
[M]+ 264.98453 166.4
[M]- 264.98563 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.