CID 209041

P-diazoiminobenzene hydrochloride

Structural Information

Molecular Formula
C6H5N3
SMILES
C1=CC(=[N+]=[N-])C=CC1=N
InChI
InChI=1S/C6H5N3/c7-5-1-3-6(9-8)4-2-5/h1-4,7H
InChIKey
UTQKLAPHLJYNQI-UHFFFAOYSA-N
Compound name
4-diazocyclohexa-2,5-dien-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

119.04835 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05563 118.3
[M+Na]+ 142.03757 125.4
[M-H]- 118.04107 123.5
[M+NH4]+ 137.08217 140.1
[M+K]+ 158.01151 118.9
[M+H-H2O]+ 102.04561 117.2
[M+HCOO]- 164.04655 147.9
[M+CH3COO]- 178.06220 169.7
[M+Na-2H]- 140.02302 129.3
[M]+ 119.04780 111.7
[M]- 119.04890 111.7
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.