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

2
Patents

147.05583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.063106 132.5
[M+Na]+ 170.045048 142.7
[M-H]- 146.048554 137.6
[M+NH4]+ 165.089653 151.8
[M+K]+ 186.018988 136.2
[M+H-H2O]+ 130.053090 122.7
[M+HCOO]- 192.054031 155.0
[M+CH3COO]- 206.069681 186.4
[M+Na-2H]- 168.030496 141.1
[M]+ 147.05528142 127.3
[M]- 147.05637858 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.