CID 3719582

2-(2-chlorophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12ClN
SMILES
C1CC(NC1)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H12ClN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-5,10,12H,3,6-7H2
InChIKey
AFXDPDJNNABZGP-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

181.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.073106 138.7
[M+Na]+ 204.055048 146.2
[M-H]- 180.058554 142.1
[M+NH4]+ 199.099653 159.1
[M+K]+ 220.028988 141.0
[M+H-H2O]+ 164.063090 132.4
[M+HCOO]- 226.064031 154.8
[M+CH3COO]- 240.079681 151.3
[M+Na-2H]- 202.040496 142.5
[M]+ 181.06528142 135.2
[M]- 181.06637858 135.2
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