CID 17857034

3,4-dichloro-n-cyclopentylaniline hydrochloride

Structural Information

Molecular Formula
C11H13Cl2N
SMILES
C1CCC(C1)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H13Cl2N/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4H2
InChIKey
DMWOSVGJUHLSPN-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-cyclopentylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

229.04251 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.049786 151.2
[M+Na]+ 252.031728 159.2
[M-H]- 228.035234 156.7
[M+NH4]+ 247.076333 171.9
[M+K]+ 268.005668 152.9
[M+H-H2O]+ 212.039770 145.9
[M+HCOO]- 274.040711 165.5
[M+CH3COO]- 288.056361 163.5
[M+Na-2H]- 250.017176 153.6
[M]+ 229.04196142 150.2
[M]- 229.04305858 150.2
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

patents stripe