CID 2114009

4-(1h-tetrazol-1-yl)benzohydrazide

Structural Information

Molecular Formula
C8H8N6O
SMILES
C1=CC(=CC=C1C(=O)NN)N2C=NN=N2
InChI
InChI=1S/C8H8N6O/c9-11-8(15)6-1-3-7(4-2-6)14-5-10-12-13-14/h1-5H,9H2,(H,11,15)
InChIKey
DCSLVGSOXWLBCY-UHFFFAOYSA-N
Compound name
4-(tetrazol-1-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

204.07596 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08324 141.2
[M+Na]+ 227.06518 149.6
[M-H]- 203.06868 143.1
[M+NH4]+ 222.10978 155.4
[M+K]+ 243.03912 146.6
[M+H-H2O]+ 187.07322 131.3
[M+HCOO]- 249.07416 164.0
[M+CH3COO]- 263.08981 153.2
[M+Na-2H]- 225.05063 148.2
[M]+ 204.07541 139.1
[M]- 204.07651 139.1
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.