CID 217764

39617-48-6

Structural Information

Molecular Formula
C17H17Cl2N
SMILES
C1CC(CC1N)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H17Cl2N/c18-14-5-1-12(2-6-14)17(10-9-16(20)11-17)13-3-7-15(19)8-4-13/h1-8,16H,9-11,20H2
InChIKey
BRPCXKROWPSETC-UHFFFAOYSA-N
Compound name
3,3-bis(4-chlorophenyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.0738 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08108 171.5
[M+Na]+ 328.06302 180.4
[M-H]- 304.06652 179.9
[M+NH4]+ 323.10762 190.9
[M+K]+ 344.03696 172.1
[M+H-H2O]+ 288.07106 165.1
[M+HCOO]- 350.07200 184.9
[M+CH3COO]- 364.08765 182.9
[M+Na-2H]- 326.04847 172.4
[M]+ 305.07325 170.4
[M]- 305.07435 170.4
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