CID 43671090

1-[1-(3-bromophenyl)-5-methyl-1h-1,2,3-triazol-4-yl]ethan-1-one

Structural Information

Molecular Formula
C11H10BrN3O
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)Br)C(=O)C
InChI
InChI=1S/C11H10BrN3O/c1-7-11(8(2)16)13-14-15(7)10-5-3-4-9(12)6-10/h3-6H,1-2H3
InChIKey
XWEFBKDTBQQRPB-UHFFFAOYSA-N
Compound name
1-[1-(3-bromophenyl)-5-methyltriazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.00073 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.00801 156.7
[M+Na]+ 301.98995 161.0
[M+NH4]+ 297.03455 160.3
[M+K]+ 317.96389 162.5
[M-H]- 277.99345 157.0
[M+Na-2H]- 299.97540 160.4
[M]+ 279.00018 156.2
[M]- 279.00128 156.2
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.