CID 87059

3-chlorobenzenediazonium

Structural Information

Molecular Formula
C6H4ClN2
SMILES
C1=CC(=CC(=C1)Cl)[N+]#N
InChI
InChI=1S/C6H4ClN2/c7-5-2-1-3-6(4-5)9-8/h1-4H/q+1
InChIKey
BXXPSNZVGJRRDF-UHFFFAOYSA-N
Compound name
3-chlorobenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

139.0063 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.01358 127.1
[M+Na]+ 161.99552 138.8
[M-H]- 137.99902 132.0
[M+NH4]+ 157.04012 147.5
[M+K]+ 177.96946 130.6
[M+H-H2O]+ 122.00356 118.5
[M+HCOO]- 184.00450 146.6
[M+CH3COO]- 198.02015 183.0
[M+Na-2H]- 159.98097 137.3
[M]+ 139.00575 123.0
[M]- 139.00685 123.0
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

patents stripe