CID 189674

2-chloro-4-benzamido-5-methylbenzenediazonium chloride hemi(zinc chloride) salt

Structural Information

Molecular Formula
C14H11ClN3O
SMILES
CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)Cl)[N+]#N
InChI
InChI=1S/C14H10ClN3O/c1-9-7-13(18-16)11(15)8-12(9)17-14(19)10-5-3-2-4-6-10/h2-8H,1H3/p+1
InChIKey
FKWOFXBLTZSXHS-UHFFFAOYSA-O
Compound name
4-benzamido-2-chloro-5-methylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.05905 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.06633 160.7
[M+Na]+ 295.04827 176.3
[M+NH4]+ 290.09287 167.0
[M+K]+ 311.02221 165.8
[M-H]- 271.05177 160.5
[M+Na-2H]- 293.03372 168.1
[M]+ 272.05850 162.7
[M]- 272.05960 162.7
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

patents stripe