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]+ 231.97162 143.4
[M+Na]+ 253.95356 153.5
[M-H]- 229.95706 150.7
[M+NH4]+ 248.99816 164.1
[M+K]+ 269.92750 144.0
[M+H-H2O]+ 213.96160 141.0
[M+HCOO]- 275.96254 167.6
[M+CH3COO]- 289.97819 192.3
[M+Na-2H]- 251.93901 148.4
[M]+ 230.96379 159.4
[M]- 230.96489 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.