CID 10888060

2-azidobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

769
Patents

147.04326 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.05054 126.5
[M+Na]+ 170.03248 140.4
[M+NH4]+ 165.07708 135.8
[M+K]+ 186.00642 135.0
[M-H]- 146.03598 132.3
[M+Na-2H]- 168.01793 135.6
[M]+ 147.04271 130.0
[M]- 147.04381 130.0
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