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]+ 345.882126 144.5
[M+Na]+ 367.864068 156.5
[M-H]- 343.867574 150.5
[M+NH4]+ 362.908673 160.1
[M+K]+ 383.838008 141.5
[M+H-H2O]+ 327.872110 152.0
[M+HCOO]- 389.873051 158.7
[M+CH3COO]- 403.888701 206.5
[M+Na-2H]- 365.849516 150.4
[M]+ 344.87430142 179.1
[M]- 344.87539858 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.