CID 53440237

3,5-dichloro-4-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H8Cl2N2
SMILES
CC1=C(C=C(C(=C1Cl)N)N)Cl
InChI
InChI=1S/C7H8Cl2N2/c1-3-4(8)2-5(10)7(11)6(3)9/h2H,10-11H2,1H3
InChIKey
CSJIMWXRWATVAJ-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.00645 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.013726 137.7
[M+Na]+ 212.995668 149.0
[M-H]- 188.999174 140.7
[M+NH4]+ 208.040273 158.5
[M+K]+ 228.969608 143.4
[M+H-H2O]+ 173.003710 134.5
[M+HCOO]- 235.004651 153.9
[M+CH3COO]- 249.020301 186.9
[M+Na-2H]- 210.981116 141.0
[M]+ 190.00590142 137.8
[M]- 190.00699858 137.8
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