CID 22313627

3-(3,4-dichlorophenoxy)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C10H11Cl2NO
SMILES
C1CNCC1OC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H11Cl2NO/c11-9-2-1-7(5-10(9)12)14-8-3-4-13-6-8/h1-2,5,8,13H,3-4,6H2
InChIKey
ZRYMANOGJMYQPM-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

231.02177 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02905 148.3
[M+Na]+ 254.01099 156.9
[M-H]- 230.01449 151.2
[M+NH4]+ 249.05559 167.1
[M+K]+ 269.98493 150.8
[M+H-H2O]+ 214.01903 142.4
[M+HCOO]- 276.01997 159.3
[M+CH3COO]- 290.03562 160.1
[M+Na-2H]- 251.99644 150.5
[M]+ 231.02122 147.5
[M]- 231.02232 147.5
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