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]+ 229.029386 148.4
[M+Na]+ 251.011328 157.8
[M-H]- 227.014834 153.0
[M+NH4]+ 246.055933 167.9
[M+K]+ 266.985268 151.7
[M+H-H2O]+ 211.019370 142.0
[M+HCOO]- 273.020311 163.1
[M+CH3COO]- 287.035961 161.0
[M+Na-2H]- 248.996776 152.4
[M]+ 228.02156142 148.9
[M]- 228.02265858 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.