CID 17535104

5-(5-bromofuran-2-yl)-1h-1,2,3,4-tetrazole

Structural Information

Molecular Formula
C5H3BrN4O
SMILES
C1=C(OC(=C1)Br)C2=NNN=N2
InChI
InChI=1S/C5H3BrN4O/c6-4-2-1-3(11-4)5-7-9-10-8-5/h1-2H,(H,7,8,9,10)
InChIKey
LMMDFBVXAZUOFU-UHFFFAOYSA-N
Compound name
5-(5-bromofuran-2-yl)-2H-tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.94902 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.95630 130.1
[M+Na]+ 236.93824 145.1
[M-H]- 212.94174 135.2
[M+NH4]+ 231.98284 149.0
[M+K]+ 252.91218 135.9
[M+H-H2O]+ 196.94628 129.1
[M+HCOO]- 258.94722 151.0
[M+CH3COO]- 272.96287 146.2
[M+Na-2H]- 234.92369 138.9
[M]+ 213.94847 150.3
[M]- 213.94957 150.3
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