CID 5276268

(2,4-dibromophenyl)-(1-hydroxytriazol-4-yl)methanone

Structural Information

Molecular Formula
C9H5Br2N3O2
SMILES
C1=CC(=C(C=C1Br)Br)C(=O)C2=CN(N=N2)O
InChI
InChI=1S/C9H5Br2N3O2/c10-5-1-2-6(7(11)3-5)9(15)8-4-14(16)13-12-8/h1-4,16H
InChIKey
VFWZZHYZEHGKTD-UHFFFAOYSA-N
Compound name
(2,4-dibromophenyl)-(1-hydroxytriazol-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.87485 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.88213 144.5
[M+Na]+ 367.86407 156.5
[M-H]- 343.86757 150.5
[M+NH4]+ 362.90867 160.1
[M+K]+ 383.83801 141.5
[M+H-H2O]+ 327.87211 152.0
[M+HCOO]- 389.87305 158.7
[M+CH3COO]- 403.88870 206.5
[M+Na-2H]- 365.84952 150.4
[M]+ 344.87430 179.1
[M]- 344.87540 179.1
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.