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

98
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 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

No literature data available for this compound.

Patent stripe

patents stripe