CID 113049

1,2-benzenediamine, 4,5-dichloro-n1-ethyl-

Structural Information

Molecular Formula
C8H10Cl2N2
SMILES
CCNC1=CC(=C(C=C1N)Cl)Cl
InChI
InChI=1S/C8H10Cl2N2/c1-2-12-8-4-6(10)5(9)3-7(8)11/h3-4,12H,2,11H2,1H3
InChIKey
BFXGCJLKGCZYLN-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-N-ethylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.02211 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.029386 141.8
[M+Na]+ 227.011328 151.8
[M-H]- 203.014834 144.7
[M+NH4]+ 222.055933 161.9
[M+K]+ 242.985268 146.1
[M+H-H2O]+ 187.019370 138.0
[M+HCOO]- 249.020311 158.2
[M+CH3COO]- 263.035961 189.3
[M+Na-2H]- 224.996776 146.3
[M]+ 204.02156142 142.9
[M]- 204.02265858 142.9
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