CID 9634200

374090-33-2

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
C1=CC=C(C=C1)N/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O/c18-15-8-6-12(10-16(15)19)17-9-7-14(22-17)11-20-21-13-4-2-1-3-5-13/h1-11,21H/b20-11+
InChIKey
MMPPVVTTZHVPFY-RGVLZGJSSA-N
Compound name
N-[(E)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

330.03265 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.039926 178.5
[M+Na]+ 353.021868 188.1
[M-H]- 329.025374 189.5
[M+NH4]+ 348.066473 194.1
[M+K]+ 368.995808 181.6
[M+H-H2O]+ 313.029910 170.8
[M+HCOO]- 375.030851 196.9
[M+CH3COO]- 389.046501 190.6
[M+Na-2H]- 351.007316 182.5
[M]+ 330.03210142 183.4
[M]- 330.03319858 183.4
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

patents stripe