CID 3016361

42450-33-9

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CNC1=CC(=C(C=C1N)Cl)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3,11H,10H2,1H3
InChIKey
ZDMRZCPRJMRDQM-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-N-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

190.00645 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.013726 137.1
[M+Na]+ 212.995668 147.6
[M-H]- 188.999174 140.3
[M+NH4]+ 208.040273 157.9
[M+K]+ 228.969608 142.2
[M+H-H2O]+ 173.003710 133.6
[M+HCOO]- 235.004651 153.9
[M+CH3COO]- 249.020301 186.3
[M+Na-2H]- 210.981116 142.2
[M]+ 190.00590142 137.9
[M]- 190.00699858 137.9
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