CID 6858416

4-(4-bromobenzylideneamino)-4h-1,2,4-triazole

Structural Information

Molecular Formula
C9H7BrN4
SMILES
C1=CC(=CC=C1/C=N/N2C=NN=C2)Br
InChI
InChI=1S/C9H7BrN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H/b13-5+
InChIKey
DNEVVDSOWJXLAW-WLRTZDKTSA-N
Compound name
(E)-1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.98541 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99269 142.0
[M+Na]+ 272.97463 154.7
[M-H]- 248.97813 149.1
[M+NH4]+ 268.01923 161.1
[M+K]+ 288.94857 143.6
[M+H-H2O]+ 232.98267 139.5
[M+HCOO]- 294.98361 165.3
[M+CH3COO]- 308.99926 157.3
[M+Na-2H]- 270.96008 151.5
[M]+ 249.98486 161.2
[M]- 249.98596 161.2
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.