CID 3039764

51170-87-7

Structural Information

Molecular Formula
C10H10Cl2N2
SMILES
C1CC(=NC1)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H10Cl2N2/c11-7-3-4-9(8(12)6-7)14-10-2-1-5-13-10/h3-4,6H,1-2,5H2,(H,13,14)
InChIKey
HMFNCVBHZDSLKZ-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02211 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02939 148.4
[M+Na]+ 251.01133 157.8
[M-H]- 227.01483 153.0
[M+NH4]+ 246.05593 167.9
[M+K]+ 266.98527 151.7
[M+H-H2O]+ 211.01937 142.0
[M+HCOO]- 273.02031 163.1
[M+CH3COO]- 287.03596 161.0
[M+Na-2H]- 248.99678 152.4
[M]+ 228.02156 148.9
[M]- 228.02266 148.9
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

No patent data available for this compound.