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]+ 120.055626 118.3
[M+Na]+ 142.037568 125.4
[M-H]- 118.041074 123.5
[M+NH4]+ 137.082173 140.1
[M+K]+ 158.011508 118.9
[M+H-H2O]+ 102.045610 117.2
[M+HCOO]- 164.046551 147.9
[M+CH3COO]- 178.062201 169.7
[M+Na-2H]- 140.023016 129.3
[M]+ 119.04780142 111.7
[M]- 119.04889858 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.