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 169.1
[M+Na]+ 328.06302 184.6
[M+NH4]+ 323.10762 181.0
[M+K]+ 344.03696 174.2
[M-H]- 304.06652 176.5
[M+Na-2H]- 326.04847 180.3
[M]+ 305.07325 174.3
[M]- 305.07435 174.3
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