CID 76012

Carbonimidic dichloride, n-(4-chlorophenyl)-

Structural Information

Molecular Formula
C7H4Cl3N
SMILES
C1=CC(=CC=C1N=C(Cl)Cl)Cl
InChI
InChI=1S/C7H4Cl3N/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H
InChIKey
ZPOLQMXMBYFIFW-UHFFFAOYSA-N
Compound name
1,1-dichloro-N-(4-chlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

206.94093 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.94821 137.6
[M+Na]+ 229.93015 147.4
[M-H]- 205.93365 140.8
[M+NH4]+ 224.97475 158.0
[M+K]+ 245.90409 142.1
[M+H-H2O]+ 189.93819 134.2
[M+HCOO]- 251.93913 149.1
[M+CH3COO]- 265.95478 187.4
[M+Na-2H]- 227.91560 143.0
[M]+ 206.94038 139.9
[M]- 206.94148 139.9
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