CID 6858594

N-(3-bromobenzylidene)-4h-1,2,4-triazol-4-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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 149.8
[M+Na]+ 272.97463 153.9
[M+NH4]+ 268.01923 154.1
[M+K]+ 288.94857 154.3
[M-H]- 248.97813 151.1
[M+Na-2H]- 270.96008 155.3
[M]+ 249.98486 149.5
[M]- 249.98596 149.5
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.