CID 386266

Nsc678008

Structural Information

Molecular Formula
C19H15Cl2N
SMILES
C1C=C(C2N1CC=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15Cl2N/c20-15-5-1-13(2-6-15)17-9-11-22-12-10-18(19(17)22)14-3-7-16(21)8-4-14/h1-10,19H,11-12H2
InChIKey
NYBNLRABXXYFQW-UHFFFAOYSA-N
Compound name
1,7-bis(4-chlorophenyl)-5,8-dihydro-3H-pyrrolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.05817 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.06545 179.4
[M+Na]+ 350.04739 190.2
[M-H]- 326.05089 188.2
[M+NH4]+ 345.09199 197.9
[M+K]+ 366.02133 181.4
[M+H-H2O]+ 310.05543 171.5
[M+HCOO]- 372.05637 191.9
[M+CH3COO]- 386.07202 190.9
[M+Na-2H]- 348.03284 178.3
[M]+ 327.05762 182.0
[M]- 327.05872 182.0
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

No patent data available for this compound.