CID 5332461

2,4-dichlorobenzaldehyde n-phenylsemicarbazone

Structural Information

Molecular Formula
C14H11Cl2N3O
SMILES
C1=CC=C(C=C1)NC(=O)N/N=C/C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl2N3O/c15-11-7-6-10(13(16)8-11)9-17-19-14(20)18-12-4-2-1-3-5-12/h1-9H,(H2,18,19,20)/b17-9+
InChIKey
GJPJCLVSUVWDFH-RQZCQDPDSA-N
Compound name
1-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

307.02792 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.03520 168.0
[M+Na]+ 330.01714 182.0
[M+NH4]+ 325.06174 176.5
[M+K]+ 345.99108 172.9
[M-H]- 306.02064 173.9
[M+Na-2H]- 328.00259 177.5
[M]+ 307.02737 172.2
[M]- 307.02847 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe