CID 118860

Benzenediazonium, 3-acetyl-, chloride

Structural Information

Molecular Formula
C8H7N2O
SMILES
CC(=O)C1=CC(=CC=C1)[N+]#N
InChI
InChI=1S/C8H7N2O/c1-6(11)7-3-2-4-8(5-7)10-9/h2-5H,1H3/q+1
InChIKey
GAUNIJRJIASFHE-UHFFFAOYSA-N
Compound name
3-acetylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.05583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06311 132.5
[M+Na]+ 170.04505 142.7
[M-H]- 146.04855 137.6
[M+NH4]+ 165.08965 151.8
[M+K]+ 186.01899 136.2
[M+H-H2O]+ 130.05309 122.7
[M+HCOO]- 192.05403 155.0
[M+CH3COO]- 206.06968 186.4
[M+Na-2H]- 168.03050 141.1
[M]+ 147.05528 127.3
[M]- 147.05638 127.3
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.