CID 5538907

2,4-dichlorobenzaldehyde semicarbazone

Structural Information

Molecular Formula
C8H7Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=N\NC(=O)N
InChI
InChI=1S/C8H7Cl2N3O/c9-6-2-1-5(7(10)3-6)4-12-13-8(11)14/h1-4H,(H3,11,13,14)/b12-4-
InChIKey
AZDUIBWEJAGLLG-QCDXTXTGSA-N
Compound name
[(Z)-(2,4-dichlorophenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.99661 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00389 147.9
[M+Na]+ 253.98583 157.0
[M-H]- 229.98933 152.2
[M+NH4]+ 249.03043 166.9
[M+K]+ 269.95977 152.0
[M+H-H2O]+ 213.99387 143.3
[M+HCOO]- 275.99481 166.6
[M+CH3COO]- 290.01046 195.5
[M+Na-2H]- 251.97128 152.6
[M]+ 230.99606 149.3
[M]- 230.99716 149.3
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