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

16
Patents

229.04251 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04979 151.2
[M+Na]+ 252.03173 159.2
[M-H]- 228.03523 156.7
[M+NH4]+ 247.07633 171.9
[M+K]+ 268.00567 152.9
[M+H-H2O]+ 212.03977 145.9
[M+HCOO]- 274.04071 165.5
[M+CH3COO]- 288.05636 163.5
[M+Na-2H]- 250.01718 153.6
[M]+ 229.04196 150.2
[M]- 229.04306 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