CID 3046472

62120-07-4

Structural Information

Molecular Formula
C6H6ClN3O2
SMILES
C1=C(OC(=C1)Cl)C(=O)N=C(N)N
InChI
InChI=1S/C6H6ClN3O2/c7-4-2-1-3(12-4)5(11)10-6(8)9/h1-2H,(H4,8,9,10,11)
InChIKey
MSBOWBMXJARPHT-UHFFFAOYSA-N
Compound name
5-chloro-N-(diaminomethylidene)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.01485 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.022126 139.7
[M+Na]+ 210.004068 147.7
[M-H]- 186.007574 144.8
[M+NH4]+ 205.048673 159.8
[M+K]+ 225.978008 146.3
[M+H-H2O]+ 170.012110 134.1
[M+HCOO]- 232.013051 162.4
[M+CH3COO]- 246.028701 186.2
[M+Na-2H]- 207.989516 143.4
[M]+ 187.01430142 139.6
[M]- 187.01539858 139.6
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.