CID 10845020

3,4-dichlorobenzene-1,2-diamine

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
C1=CC(=C(C(=C1N)N)Cl)Cl
InChI
InChI=1S/C6H6Cl2N2/c7-3-1-2-4(9)6(10)5(3)8/h1-2H,9-10H2
InChIKey
PBVBFKPJZFNFNY-UHFFFAOYSA-N
Compound name
3,4-dichlorobenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

251
Patents

175.9908 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99808 133.0
[M+Na]+ 198.98002 143.8
[M-H]- 174.98352 135.8
[M+NH4]+ 194.02462 154.0
[M+K]+ 214.95396 138.3
[M+H-H2O]+ 158.98806 129.7
[M+HCOO]- 220.98900 149.5
[M+CH3COO]- 235.00465 182.7
[M+Na-2H]- 196.96547 137.5
[M]+ 175.99025 132.4
[M]- 175.99135 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