CID 84668

4-azidobenzoyl chloride

Structural Information

Molecular Formula
C7H4ClN3O
SMILES
C1=CC(=CC=C1C(=O)Cl)N=[N+]=[N-]
InChI
InChI=1S/C7H4ClN3O/c8-7(12)5-1-3-6(4-2-5)10-11-9/h1-4H
InChIKey
XXKYTTAVNYTVFC-UHFFFAOYSA-N
Compound name
4-azidobenzoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

181.00429 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01157 134.7
[M+Na]+ 203.99351 142.9
[M-H]- 179.99701 140.9
[M+NH4]+ 199.03811 155.3
[M+K]+ 219.96745 135.8
[M+H-H2O]+ 164.00155 133.8
[M+HCOO]- 226.00249 161.4
[M+CH3COO]- 240.01814 182.0
[M+Na-2H]- 201.97896 144.4
[M]+ 181.00374 134.4
[M]- 181.00484 134.4
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