CID 6871615

331670-28-1

Structural Information

Molecular Formula
C18H12Cl2N2O2
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H12Cl2N2O2/c19-15-8-6-13(10-16(15)20)17-9-7-14(24-17)11-21-22-18(23)12-4-2-1-3-5-12/h1-11H,(H,22,23)/b21-11+
InChIKey
KQJAQSMXAJUWLD-SRZZPIQSSA-N
Compound name
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

358.0276 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03488 185.5
[M+Na]+ 381.01682 194.6
[M-H]- 357.02032 196.8
[M+NH4]+ 376.06142 199.9
[M+K]+ 396.99076 188.5
[M+H-H2O]+ 341.02486 177.8
[M+HCOO]- 403.02580 203.1
[M+CH3COO]- 417.04145 197.0
[M+Na-2H]- 379.00227 188.0
[M]+ 358.02705 190.9
[M]- 358.02815 190.9
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

patents stripe