CID 84126088

3-(2,5-dichlorophenyl)-3-methylazetidine hydrochloride

Structural Information

Molecular Formula
C10H11Cl2N
SMILES
CC1(CNC1)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2N/c1-10(5-13-6-10)8-4-7(11)2-3-9(8)12/h2-4,13H,5-6H2,1H3
InChIKey
ILEIJXYNHMXMIS-UHFFFAOYSA-N
Compound name
3-(2,5-dichlorophenyl)-3-methylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
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 134.9
[M+Na]+ 238.01608 146.0
[M+NH4]+ 233.06068 142.3
[M+K]+ 253.99002 138.2
[M-H]- 214.01958 135.8
[M+Na-2H]- 236.00153 142.6
[M]+ 215.02631 136.5
[M]- 215.02741 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.