CID 3046473

62120-08-5

Structural Information

Molecular Formula
C6H6BrN3O2
SMILES
C1=C(OC(=C1)Br)C(=O)N=C(N)N
InChI
InChI=1S/C6H6BrN3O2/c7-4-2-1-3(12-4)5(11)10-6(8)9/h1-2H,(H4,8,9,10,11)
InChIKey
VZSLQWLDYHBVIW-UHFFFAOYSA-N
Compound name
5-bromo-N-(diaminomethylidene)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.96434 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.971616 143.4
[M+Na]+ 253.953558 153.5
[M-H]- 229.957064 150.7
[M+NH4]+ 248.998163 164.1
[M+K]+ 269.927498 144.0
[M+H-H2O]+ 213.961600 141.0
[M+HCOO]- 275.962541 167.6
[M+CH3COO]- 289.978191 192.3
[M+Na-2H]- 251.939006 148.4
[M]+ 230.96379142 159.4
[M]- 230.96488858 159.4
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

No patent data available for this compound.