CID 4048318

6-azido-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C7H5N5
SMILES
C1=CC2=C(C=C1N=[N+]=[N-])NC=N2
InChI
InChI=1S/C7H5N5/c8-12-11-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChIKey
FLLNGOREBREUGQ-UHFFFAOYSA-N
Compound name
6-azido-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

159.05449 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.06177 124.5
[M+Na]+ 182.04371 134.0
[M-H]- 158.04721 128.6
[M+NH4]+ 177.08831 145.0
[M+K]+ 198.01765 126.5
[M+H-H2O]+ 142.05175 121.3
[M+HCOO]- 204.05269 154.6
[M+CH3COO]- 218.06834 176.2
[M+Na-2H]- 180.02916 138.8
[M]+ 159.05394 122.2
[M]- 159.05504 122.2
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