CID 54762967

2-azido-5-bromobenzaldehyde

Structural Information

Molecular Formula
C7H4BrN3O
SMILES
C1=CC(=C(C=C1Br)C=O)N=[N+]=[N-]
InChI
InChI=1S/C7H4BrN3O/c8-6-1-2-7(10-11-9)5(3-6)4-12/h1-4H
InChIKey
LBXSADAVZHXOBB-UHFFFAOYSA-N
Compound name
2-azido-5-bromobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

224.95377 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.96105 136.2
[M+Na]+ 247.94299 148.0
[M-H]- 223.94649 145.3
[M+NH4]+ 242.98759 158.1
[M+K]+ 263.91693 132.9
[M+H-H2O]+ 207.95103 138.8
[M+HCOO]- 269.95197 165.3
[M+CH3COO]- 283.96762 188.7
[M+Na-2H]- 245.92844 147.8
[M]+ 224.95322 153.9
[M]- 224.95432 153.9
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