CID 22370

6022-33-9

Structural Information

Molecular Formula
C9H9Cl3N2
SMILES
CN(C)C(=NC1=CC(=C(C=C1)Cl)Cl)Cl
InChI
InChI=1S/C9H9Cl3N2/c1-14(2)9(12)13-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKey
WKQYAIDXQNGNIQ-UHFFFAOYSA-N
Compound name
N'-(3,4-dichlorophenyl)-N,N-dimethylcarbamimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3800
Patents

249.98312 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.99040 152.1
[M+Na]+ 272.97234 161.4
[M-H]- 248.97584 156.8
[M+NH4]+ 268.01694 171.6
[M+K]+ 288.94628 156.9
[M+H-H2O]+ 232.98038 148.1
[M+HCOO]- 294.98132 164.5
[M+CH3COO]- 308.99697 201.5
[M+Na-2H]- 270.95779 155.2
[M]+ 249.98257 156.1
[M]- 249.98367 156.1
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