CID 20251934

N1-(3,4-dichlorophenyl)ethane-1,2-diamine hydrochloride

Structural Information

Molecular Formula
C8H10Cl2N2
SMILES
C1=CC(=C(C=C1NCCN)Cl)Cl
InChI
InChI=1S/C8H10Cl2N2/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5,12H,3-4,11H2
InChIKey
OQPNJMXFIQFACK-UHFFFAOYSA-N
Compound name
N'-(3,4-dichlorophenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

204.02211 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02939 141.6
[M+Na]+ 227.01133 150.6
[M-H]- 203.01483 144.2
[M+NH4]+ 222.05593 161.4
[M+K]+ 242.98527 144.9
[M+H-H2O]+ 187.01937 137.5
[M+HCOO]- 249.02031 158.0
[M+CH3COO]- 263.03596 188.2
[M+Na-2H]- 224.99678 146.8
[M]+ 204.02156 142.3
[M]- 204.02266 142.3
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