CID 61132

Benzoyl azide

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC=C(C=C1)C(=O)N=[N+]=[N-]
InChI
InChI=1S/C7H5N3O/c8-10-9-7(11)6-4-2-1-3-5-6/h1-5H
InChIKey
PJHUABJTDFXYRQ-UHFFFAOYSA-N
Compound name
benzoyl azide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1165
Patents

147.04326 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 125.7
[M+Na]+ 170.03248 132.6
[M-H]- 146.03598 132.2
[M+NH4]+ 165.07708 146.8
[M+K]+ 186.00642 127.5
[M+H-H2O]+ 130.04052 123.7
[M+HCOO]- 192.04146 157.1
[M+CH3COO]- 206.05711 176.4
[M+Na-2H]- 168.01793 137.0
[M]+ 147.04271 122.9
[M]- 147.04381 122.9
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