CID 9656357

2,4,6-trichloro-n'-(1-(3-(1h-tetraazol-1-yl)phenyl)ethylidene)benzohydrazide

Structural Information

Molecular Formula
C16H11Cl3N6O
SMILES
C/C(=N\NC(=O)C1=C(C=C(C=C1Cl)Cl)Cl)/C2=CC(=CC=C2)N3C=NN=N3
InChI
InChI=1S/C16H11Cl3N6O/c1-9(10-3-2-4-12(5-10)25-8-20-23-24-25)21-22-16(26)15-13(18)6-11(17)7-14(15)19/h2-8H,1H3,(H,22,26)/b21-9+
InChIKey
SMJMORWFRMKXRA-ZVBGSRNCSA-N
Compound name
2,4,6-trichloro-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.00598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.01326 189.1
[M+Na]+ 430.99520 198.6
[M-H]- 406.99870 193.4
[M+NH4]+ 426.03980 197.4
[M+K]+ 446.96914 191.5
[M+H-H2O]+ 391.00324 177.6
[M+HCOO]- 453.00418 195.8
[M+CH3COO]- 467.01983 197.5
[M+Na-2H]- 428.98065 189.7
[M]+ 408.00543 193.1
[M]- 408.00653 193.1
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.