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]+ 216.034136 145.7
[M+Na]+ 238.016078 154.4
[M-H]- 214.019584 148.6
[M+NH4]+ 233.060683 165.2
[M+K]+ 253.990018 147.8
[M+H-H2O]+ 198.024120 139.9
[M+HCOO]- 260.025061 156.5
[M+CH3COO]- 274.040711 157.6
[M+Na-2H]- 236.001526 147.8
[M]+ 215.02631142 143.5
[M]- 215.02740858 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