CID 50681

Lolop granule

Structural Information

Molecular Formula
C11H12Cl2N2O2
SMILES
C1CCN(C1)OC(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H12Cl2N2O2/c12-8-3-4-10(9(13)7-8)14-11(16)17-15-5-1-2-6-15/h3-4,7H,1-2,5-6H2,(H,14,16)
InChIKey
FLHDOVJPDYHPPV-UHFFFAOYSA-N
Compound name
pyrrolidin-1-yl N-(2,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0276 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03488 159.1
[M+Na]+ 297.01682 166.9
[M-H]- 273.02032 163.5
[M+NH4]+ 292.06142 176.6
[M+K]+ 312.99076 161.9
[M+H-H2O]+ 257.02486 152.6
[M+HCOO]- 319.02580 171.8
[M+CH3COO]- 333.04145 194.4
[M+Na-2H]- 295.00227 160.6
[M]+ 274.02705 160.0
[M]- 274.02815 160.0
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.