CID 3053951

Brn 0793795

Structural Information

Molecular Formula
C9H7Cl2N5
SMILES
C1=CC(=C(C=C1C2=CN=NC(=N2)NN)Cl)Cl
InChI
InChI=1S/C9H7Cl2N5/c10-6-2-1-5(3-7(6)11)8-4-13-16-9(14-8)15-12/h1-4H,12H2,(H,14,15,16)
InChIKey
VMDWVMXBXNJYMH-UHFFFAOYSA-N
Compound name
[5-(3,4-dichlorophenyl)-1,2,4-triazin-3-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

255.00784 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.01512 151.7
[M+Na]+ 277.99706 162.4
[M-H]- 254.00056 153.6
[M+NH4]+ 273.04166 165.2
[M+K]+ 293.97100 155.8
[M+H-H2O]+ 238.00510 143.2
[M+HCOO]- 300.00604 165.1
[M+CH3COO]- 314.02169 163.0
[M+Na-2H]- 275.98251 158.8
[M]+ 255.00729 152.3
[M]- 255.00839 152.3
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

patents stripe