CID 6863825

2-furaldehyde, 4-(m-chlorophenyl)semicarbazone

Structural Information

Molecular Formula
C12H10ClN3O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C12H10ClN3O2/c13-9-3-1-4-10(7-9)15-12(17)16-14-8-11-5-2-6-18-11/h1-8H,(H2,15,16,17)/b14-8+
InChIKey
NGVXMSPIQNGWFB-RIYZIHGNSA-N
Compound name
1-(3-chlorophenyl)-3-[(E)-furan-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

263.04614 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05342 159.2
[M+Na]+ 286.03536 166.5
[M-H]- 262.03886 168.1
[M+NH4]+ 281.07996 176.6
[M+K]+ 302.00930 163.4
[M+H-H2O]+ 246.04340 151.9
[M+HCOO]- 308.04434 183.8
[M+CH3COO]- 322.05999 199.6
[M+Na-2H]- 284.02081 165.6
[M]+ 263.04559 161.8
[M]- 263.04669 161.8
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.