CID 5391192

[(z)-1-(3,4-dichlorophenyl)ethylideneamino]urea

Structural Information

Molecular Formula
C9H9Cl2N3O
SMILES
C/C(=N/NC(=O)N)/C1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H9Cl2N3O/c1-5(13-14-9(12)15)6-2-3-7(10)8(11)4-6/h2-4H,1H3,(H3,12,14,15)/b13-5-
InChIKey
RNPCDQNIIZVNNZ-ACAGNQJTSA-N
Compound name
[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.01227 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.01955 152.7
[M+Na]+ 268.00149 161.1
[M-H]- 244.00499 156.9
[M+NH4]+ 263.04609 171.1
[M+K]+ 283.97543 156.4
[M+H-H2O]+ 228.00953 148.0
[M+HCOO]- 290.01047 170.1
[M+CH3COO]- 304.02612 199.4
[M+Na-2H]- 265.98694 155.7
[M]+ 245.01172 153.8
[M]- 245.01282 153.8
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.