CID 90385

4-azidobenzaldehyde

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC(=CC=C1C=O)N=[N+]=[N-]
InChI
InChI=1S/C7H5N3O/c8-10-9-7-3-1-6(5-11)2-4-7/h1-5H
InChIKey
SDJOUGYEUFYPLL-UHFFFAOYSA-N
Compound name
4-azidobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

941
Patents

147.04326 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 124.9
[M+Na]+ 170.03248 133.0
[M-H]- 146.03598 131.7
[M+NH4]+ 165.07708 146.3
[M+K]+ 186.00642 127.3
[M+H-H2O]+ 130.04052 123.1
[M+HCOO]- 192.04146 157.3
[M+CH3COO]- 206.05711 177.5
[M+Na-2H]- 168.01793 136.8
[M]+ 147.04271 123.3
[M]- 147.04381 123.3
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