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]+ 188.02213 139.7
[M+Na]+ 210.00407 147.7
[M-H]- 186.00757 144.8
[M+NH4]+ 205.04867 159.8
[M+K]+ 225.97801 146.3
[M+H-H2O]+ 170.01211 134.1
[M+HCOO]- 232.01305 162.4
[M+CH3COO]- 246.02870 186.2
[M+Na-2H]- 207.98952 143.4
[M]+ 187.01430 139.6
[M]- 187.01540 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.