CID 458441

1-chloro-7-(chloromethyl)-7,8-dihydro-1h-pyrrolizine

Structural Information

Molecular Formula
C8H9Cl2N
SMILES
C1=CN2C=CC(C2C1CCl)Cl
InChI
InChI=1S/C8H9Cl2N/c9-5-6-1-3-11-4-2-7(10)8(6)11/h1-4,6-8H,5H2
InChIKey
QNXOBFVXOCBNBF-UHFFFAOYSA-N
Compound name
1-chloro-7-(chloromethyl)-7,8-dihydro-1H-pyrrolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0112 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.01848 141.4
[M+Na]+ 212.00042 152.4
[M-H]- 188.00392 143.9
[M+NH4]+ 207.04502 165.7
[M+K]+ 227.97436 147.1
[M+H-H2O]+ 172.00846 136.6
[M+HCOO]- 234.00940 154.8
[M+CH3COO]- 248.02505 155.0
[M+Na-2H]- 209.98587 143.9
[M]+ 189.01065 143.4
[M]- 189.01175 143.4
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.

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No patent data available for this compound.