CID 29949

2,5-dichlorobenzene-1,4-diamine

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
C1=C(C(=CC(=C1Cl)N)Cl)N
InChI
InChI=1S/C6H6Cl2N2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H,9-10H2
InChIKey
QAYVHDDEMLNVMO-UHFFFAOYSA-N
Compound name
2,5-dichlorobenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

2597
Patents

175.9908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.998076 133.0
[M+Na]+ 198.980018 143.8
[M-H]- 174.983524 135.8
[M+NH4]+ 194.024623 154.0
[M+K]+ 214.953958 138.3
[M+H-H2O]+ 158.988060 129.7
[M+HCOO]- 220.989001 149.5
[M+CH3COO]- 235.004651 182.7
[M+Na-2H]- 196.965466 137.5
[M]+ 175.99025142 132.4
[M]- 175.99134858 132.4
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