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]+ 191.01373 137.7
[M+Na]+ 212.99567 149.0
[M-H]- 188.99917 140.7
[M+NH4]+ 208.04027 158.5
[M+K]+ 228.96961 143.4
[M+H-H2O]+ 173.00371 134.5
[M+HCOO]- 235.00465 153.9
[M+CH3COO]- 249.02030 186.9
[M+Na-2H]- 210.98112 141.0
[M]+ 190.00590 137.8
[M]- 190.00700 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