CID 3677656

2-(3,5-dichlorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H11Cl2N
SMILES
C1CC(NC1)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2N/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2
InChIKey
RGJUGOHYPAYSDI-UHFFFAOYSA-N
Compound name
2-(3,5-dichlorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

215.02686 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.03414 145.7
[M+Na]+ 238.01608 154.4
[M-H]- 214.01958 148.6
[M+NH4]+ 233.06068 165.2
[M+K]+ 253.99002 147.8
[M+H-H2O]+ 198.02412 139.9
[M+HCOO]- 260.02506 156.5
[M+CH3COO]- 274.04071 157.6
[M+Na-2H]- 236.00153 147.8
[M]+ 215.02631 143.5
[M]- 215.02741 143.5
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