CID 19100189

3-azidobenzaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
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

No literature data available for this compound.

Patent stripe

patents stripe