CID 6858594

19015-62-4

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]+ 250.992686 142.0
[M+Na]+ 272.974628 154.7
[M-H]- 248.978134 149.1
[M+NH4]+ 268.019233 161.1
[M+K]+ 288.948568 143.6
[M+H-H2O]+ 232.982670 139.5
[M+HCOO]- 294.983611 165.3
[M+CH3COO]- 308.999261 157.3
[M+Na-2H]- 270.960076 151.5
[M]+ 249.98486142 161.2
[M]- 249.98595858 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.